727	542	679	0:SP2_SP2_SP3	C[5,5a]	N[5]	B[5a]	3:4:3:	3:3:4:	3:3:4:4:	N[5,5a]-3:B[5a]-4:N[5]-3:	C[5,5a]-3:C[5]-3:C-4:	N[5a,6a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]N[5a,6a]CC)(N[5]C[5]C)	N[5](C[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC[6a]HH)	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CCHH)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]N[5a,6a]CC)(N[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[5,5a]N[5,5a]B[5a])(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CCHH)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	142.4340	0.491	2	142.4340	0.241	2	142.4340	0.241	2	142.4340	0.241	2	141.9833	0.730	3	141.9833	0.730	3
727	542	679	0:SP2_SP2_SP3	C[5,5a]	N[5]	B[5a]	4:3:3:	3:4:4:	3:3:3:1:	B[5a]-4:N[5,5a]-3:N[5]-3:	C[5,5a]-3:C[3x6]-4:C[5]-4:	C[5,5a]-3:N[5a]-3:C[6a]-3:F-1:	C[5,5a](B[5a]C[6a]N[5a]F)(N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])	N[5](C[5,5a]N[5,5a]B[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH)	B[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)(F)	C[5,5a](B[5a]C[6a]N[5a]F)(N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5]){3|C<3>,4|C<4>,4|H<1>}	N[5](C[5,5a]N[5,5a]B[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|F<1>,1|N<3>,2|C<3>,3|C<4>,8|H<1>}	B[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)(F){4|C<3>,6|C<4>}	141.0820	0.000	1	141.0820	0.000	1	141.0820	0.000	1	141.0820	0.000	1	141.9833	0.730	3	141.9833	0.730	3
727	542	727	0:SP2_SP2_SP2	C[5,5a]	N[5]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:N[5]-3:	C[5,5a]-3:C[6a]-3:P[5]-2:	C[5a,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5,5a]C[5a,6a]N[5])(N[5]C[6a]P[5])	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(P[5]N[5])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5,5a]C[5,5a]N[5])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5,5a]C[5a,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,6|C<3>}	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(P[5]N[5]){2|C<4>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5,5a]C[5,5a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|P<2>,4|C<3>}	137.9765	0.496	2	137.9765	0.246	2	137.9765	0.246	2	137.9765	0.246	2	138.9473	8.647	6	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,5a]	N[5]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5]C[5]C)	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(CCHH)	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(CCHH){1|S<2>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	133.9700	0.000	1	133.9700	0.000	1	133.9700	0.000	1	133.9700	0.000	1	138.9473	8.647	6	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,5a]	N[5]	C[5a,6a]	3:3:3:	3:4:4:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:N[5]-3:	C[5,5a]-3:C[5,5]-4:S-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]O[5a]C[5])(N[5]C[5,5]S)	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO)	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]O[5a]C[5])(N[5]C[5,5]S){2|H<1>,5|C<3>}	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	140.7580	0.000	1	140.7580	0.000	1	140.7580	0.000	1	141.2537	0.188	3	138.9473	8.647	6	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,5a]	N[5]	C[5a,6a]	3:3:3:	3:4:4:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:N[5]-3:	C[5,5a]-3:C[5]-4:C-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5a]C[5])(N[5]C[5]C)	N[5](C[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]HH)(CCHH)	C[5a,6a](C[5,5a]N[5,5a]N[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5a]C[5])(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]HH)(CCHH){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]N[5,5a]N[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	141.5015	0.081	2	141.5015	0.007	2	141.5015	0.007	2	141.2537	0.188	3	138.9473	8.647	6	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,5a]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H)	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[6a]S[5a])(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H){1|O<1>,2|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[6a]S[5a])(H){1|H<1>,4|C<3>}	135.3710	0.000	1	135.3710	0.000	1	135.1265	0.120	2	135.1265	0.120	2	137.9241	22.002	14	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,5a]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H)	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]S[5a]H)(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	134.8820	0.000	1	134.8820	0.000	1	135.1265	0.120	2	135.1265	0.120	2	137.9241	22.002	14	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,5a]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:N[5a]-3:C-3:	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]N[5a]C)(N[5]C[5]H)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]H)(H)	C[5a](C[5,5a]C[5,5a]N[5])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]N[5a]C)(N[5]C[5]H){1|Ni<4>,1|C<3>,2|H<1>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5,5a]C[5,5a]N[5])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	144.4860	0.585	4	144.4860	0.343	4	144.4860	0.343	4	144.4860	0.343	4	137.9241	22.002	14	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,5a]	N[5]	C[5a]	3:3:3:	3:3:4:	3:2:1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:S[5a]-2:H-1:	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]S[5a]H)(N[5]C[5]C)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]Pd)(CH3)	C[5a](C[5,5a]C[5,5a]N[5])(S[5a]C[5a])(H)	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]S[5a]H)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|H<1>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]Pd)(CH3){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]N[5])(S[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	139.2415	0.223	2	139.2415	0.050	2	139.2415	0.050	2	139.2415	0.050	2	137.9241	22.002	14	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,5a]	N[5]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]S[5a])(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|C<3>,2|O<1>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]S[5a])(H){1|C<4>,1|S<2>,3|C<3>}	133.0695	0.390	2	133.7550	0.697	4	134.0430	0.617	6	134.0430	0.617	6	137.9241	22.002	14	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,5a]	N[5]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]S[5a])(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|O<1>,2|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]S[5a])(H){1|C<4>,1|S<2>,3|C<3>}	134.4405	0.241	2	133.7550	0.697	4	134.0430	0.617	6	134.0430	0.617	6	137.9241	22.002	14	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,5a]	N[5]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]S[5a]H)(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	134.6190	0.048	2	134.6190	0.002	2	134.0430	0.617	6	134.0430	0.617	6	137.9241	22.002	14	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5a,6a]-3:N[5a,6a]-3:C[5,6a]-3:	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5a,6a]N[5])(N[5,6]C[5,6]C[6])	N[5,6](C[5,6a]C[5a,6a]C[5,6a])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6])	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5a,6a]N[5])(N[5,6]C[5,6]C[6]){1|Cu<4>,1|H<1>,2|N<2>,5|C<3>}	N[5,6](C[5,6a]C[5a,6a]C[5,6a])(C[5,6]C[6]N[5])(C[6]C[6]H){1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	136.2620	0.000	1	136.2620	0.000	1	136.2620	0.000	1	136.2620	0.000	1	136.2620	0.000	1	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,4x6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(C[5,6a]C[5,6a]O[5])(N[5]C[5,4x6]C)	N[5](C[5,4x6]C[5,5,3x6]C[3x6]C[6,6])(C[5,6a]C[5,6a]2)(COO)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]O[5])(O[5]C[5])	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(C[5,6a]C[5,6a]O[5])(N[5]C[5,4x6]C){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	N[5](C[5,4x6]C[5,5,3x6]C[3x6]C[6,6])(C[5,6a]C[5,6a]2)(COO){2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]O[5])(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	133.7440	0.000	1	133.7440	0.000	1	133.7440	0.000	1	133.7440	0.000	1	133.7440	0.000	1	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5])	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(C[5a]C[5a]H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,1|S<2>,6|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|P<2>,1|S<2>,2|C<3>}	128.0725	0.159	2	128.0725	0.025	2	128.0725	0.025	2	128.0725	0.025	2	127.2449	0.960	9	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:As[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]As[5]C[6a])	N[5](C[5,6a]C[5a,6a]C[5,6a])(As[5]N[5]Cl)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(C[5a]C[5a]H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]As[5]C[6a]){1|Cl<1>,1|H<1>,1|S<2>,6|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(As[5]N[5]Cl)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(C[5a]C[5a]H){1|As<3>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	125.9785	0.012	2	125.9785	0.000	2	126.2652	0.152	4	127.0084	0.982	7	127.2449	0.960	9	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:As[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]As[5]C[6a])	N[5](C[5,6a]C[5a,6a]C[5,6a])(As[5]N[5]Pt)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(C[5a]C[5a]H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]As[5]C[6a]){1|Pt<3>,1|H<1>,1|S<2>,6|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(As[5]N[5]Pt)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(C[5a]C[5a]H){1|As<3>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	126.5520	0.355	2	126.5520	0.126	2	126.2652	0.152	4	127.0084	0.982	7	127.2449	0.960	9	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5])	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]Cl)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(C[5a]C[5a]H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5]){1|Cl<1>,1|H<1>,1|S<2>,6|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]Cl){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|P<3>,1|S<2>,2|C<3>}	128.1820	0.283	2	128.1820	0.080	2	127.9993	0.140	3	127.0084	0.982	7	127.2449	0.960	9	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5,6a]	N[5]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5])	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]Pt)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(C[5a]C[5a]H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5]){1|Pt<3>,1|H<1>,1|S<2>,6|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]Pt){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]N[5])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|P<3>,1|S<2>,2|C<3>}	127.6340	0.000	1	127.6340	0.000	1	127.9993	0.140	3	127.0084	0.982	7	127.2449	0.960	9	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a,6]	N[5,6]	C[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a,6]-3:N[5,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5a,6]-3:C[5a]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5,6]C[5,6]C[5])(C[5a]C[5a]N[5a])	N[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH)	C[5a](C[5a,6]N[5a,6]N[5,6])(C[5a]N[5a]O[5a])(N[5a]C[5a])	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5,6]C[5,6]C[5])(C[5a]C[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	N[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]N[5,6])(C[5a]N[5a]O[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	136.5400	0.255	2	136.5400	0.065	2	136.5400	0.065	2	136.5400	0.065	2	136.5400	0.065	2	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	127.6500	0.000	1	127.6500	0.000	1	126.1670	4.399	2	126.1670	4.399	2	126.1670	4.399	2	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	124.6840	0.000	1	124.6840	0.000	1	126.1670	4.399	2	126.1670	4.399	2	126.1670	4.399	2	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:O[5a]-2:N[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(C[5]N[5]H)	C[5a](C[5a]O[5a]N[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(N[5]C[5]2){1|C<3>,1|N<3>,4|H<1>}	N[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]O[5a]N[5])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	132.7240	0.000	1	132.7240	0.000	1	132.7240	0.000	1	130.1205	13.556	2	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:N[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]S[5a])(C[5]C[5]O)2	C[5a](C[5a]S[5a]N[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(N[5]C[5]2){1|Br<1>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[5a]C[5a]S[5a])(C[5]C[5]O)2{2|C<3>,5|H<1>}	C[5a](C[5a]S[5a]N[5])(C[5a]C[5a]H)(H){1|Br<1>,2|C<3>}	127.5170	0.000	1	127.5170	0.000	1	127.5170	0.000	1	130.1205	13.556	2	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:2:3:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N)	C[5a](C[5a]N[5a]N[5])(C[5a]O[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]N[5a]N[5])(C[5a]O[5a]C)(H){1|C<3>,1|C<4>}	130.3590	0.000	1	130.3590	0.000	1	130.3590	0.000	1	130.9683	2.395	3	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:2:3:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(N[5]C[5]2){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H){1|C<3>,1|C<4>}	129.8180	0.000	1	129.8180	0.000	1	129.8180	0.000	1	130.9683	2.395	3	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:2:3:	3:4:3:	3:3:1:	C[5a]-3:O[5a]-2:N[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5a](C[5a]O[5a]N[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(N[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O){2|H<1>,5|C<3>}	C[5a](C[5a]O[5a]N[5])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>}	132.7280	0.000	1	132.7280	0.000	1	132.7280	0.000	1	130.9683	2.395	3	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:2:3:	3:4:3:	3:3:2:	C[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]O)	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(N[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,4|H<1>}	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(O[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	128.9580	0.000	1	128.9580	0.000	1	128.9580	0.000	1	128.9580	0.000	1	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:2:3:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]O)	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	126.2890	0.000	1	126.2890	0.000	1	126.5285	0.115	2	126.5285	0.115	2	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:2:3:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]O)	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	126.7680	0.000	1	126.7680	0.000	1	126.5285	0.115	2	126.5285	0.115	2	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:2:3:	3:4:4:	3:3:1:	C[5a]-3:S[5a]-2:N[5]-3:	C[5a]-3:C[5]-4:C[5]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)2	C[5a](C[5a]S[5a]N[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(N[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	N[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	C[5a](C[5a]S[5a]N[5])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>}	128.5400	0.000	1	128.5400	0.000	1	128.5400	0.000	1	128.5400	0.000	1	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:2:	3:3:2:	3:3:1:	N[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5]-3:N[5]-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](N[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]N[5a])	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5])	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H)	C[5a](N[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	128.8100	0.000	1	128.8100	0.000	1	128.8100	0.000	1	128.8100	0.000	1	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:2:	3:3:3:	3:3:1:	N[5]-3:C[5a]-3:N[5a]-2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](N[5]C[5,6a]C[5])(C[5a]N[5a]H)(N[5a]N[5a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]H)	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H)	C[5a](N[5]C[5,6a]C[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]H){1|Ir<8>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H){2|C<3>}	130.8030	0.000	1	130.8030	0.000	1	130.8030	0.000	1	130.8030	0.000	1	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:2:	4:3:4:	3:3:1:	N[5]-3:C[5a]-3:N[5a]-2:	C[5,5,6]-4:C[5a]-3:S[5]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5]C[5,5,6]S[5])(C[5a]C[5a]H)(N[5a]N[5a])	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5a]C[5a]N[5a])(S[5]C[5]OO)	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H)	C[5a](N[5]C[5,5,6]S[5])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,2|O<1>,4|C<4>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5a]C[5a]N[5a])(S[5]C[5]OO){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|S<4>}	128.8210	0.000	1	128.8210	0.000	1	128.8210	0.000	1	128.8210	0.000	1	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]N[5])	N[5](C[5a]C[5a]2)(C[5]N[5]Se)(N[5]C[5])	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]N[5]){1|Se<1>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5a]C[5a]2)(C[5]N[5]Se)(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	126.2930	0.000	1	126.2930	0.000	1	126.2930	0.000	1	125.2125	2.335	2	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]N[5])	N[5](C[5a]C[5a]2)(C[5]N[5]Se)(N[5]C[5])	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]N[5]){1|Se<1>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5a]C[5a]2)(C[5]N[5]Se)(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,3|H<1>,4|C<3>}	124.1320	0.000	1	124.1320	0.000	1	124.1320	0.000	1	125.2125	2.335	2	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[5a]C[5a]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5]C[5]2){1|C<4>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[5a]C[5a]2){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(O){2|C<4>,4|C<3>}	122.5140	0.000	1	122.5140	0.000	1	122.5140	0.000	1	128.5075	16.012	4	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(N[5]C[5]2){1|C<3>,1|N<2>,2|C<4>,2|O<1>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H){1|C<4>,2|N<2>,3|C<3>}	130.1990	0.000	1	130.1990	0.000	1	130.1990	0.000	1	128.5075	16.012	4	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5]C[5,6a]C[5])(C[5a]S[5a]Ru)(C[5a]C[5a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]Ru)	C[5a](C[5a]C[5a]N[5])(C[5a]S[5a]H)(H)	C[5a](N[5]C[5,6a]C[5])(C[5a]S[5a]Ru)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]Ru){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5])(C[5a]S[5a]H)(H){1|Ru<9>,2|C<3>}	130.6430	0.000	1	130.6430	0.000	1	130.6430	0.000	1	128.5075	16.012	4	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]O)2	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<2>,2|O<1>,4|C<3>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]O)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H){3|C<3>}	130.6740	0.000	1	130.6740	0.000	1	130.6740	0.000	1	128.5075	16.012	4	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|N<3>,4|H<1>,5|C<3>}	N[5](C[5a]C[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	125.6940	0.000	1	125.6940	0.000	1	125.4075	0.164	2	125.0600	0.228	4	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]2)(C[5]N[5]H)2	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5a]C[5a]2)(C[5]N[5]H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	125.1210	0.000	1	125.1210	0.000	1	125.4075	0.164	2	125.0600	0.228	4	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]2)(C[5]C[5]H)(C[5]N[5]H)	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|N<3>,4|H<1>,5|C<3>}	N[5](C[5a]C[5a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	124.5790	0.000	1	124.5790	0.000	1	124.7125	0.036	2	125.0600	0.228	4	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]2)(C[5]N[5]H)2	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5a]C[5a]2)(C[5]N[5]H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	124.8460	0.000	1	124.8460	0.000	1	124.7125	0.036	2	125.0600	0.228	4	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5]C[5]2){1|C<4>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[5a]C[5a]2){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3){1|O<1>,3|C<3>}	127.6220	0.000	1	127.6220	0.000	1	127.6220	0.000	1	127.6220	0.000	1	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	3:4:3:	3:3:2:	C[5a]-3:N[5a]-3:N[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,2|H<1>,3|C<3>}	133.6440	0.449	3	133.6440	0.201	3	133.6440	0.201	3	133.6440	0.201	3	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)	C[5a](C[5a]C[5a,6a]N[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]N[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	123.9030	0.000	1	125.2860	3.825	2	125.2860	3.825	2	125.2860	3.825	2	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)	C[5a](C[5a]C[5a,6a]N[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]N[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	126.6690	0.000	1	125.2860	3.825	2	125.2860	3.825	2	125.2860	3.825	2	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	4:3:3:	3:2:4:	C[5a]-3:C[5a]-3:N[5]-3:	C[5]-4:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[5a]C[5a]2)(C[5]C[5]O)	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	N[5](C[5]C[6a]S[5]H)(C[5a]C[5a]2)(C[5]C[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CH3){1|C<4>,1|N<3>,2|C<3>}	127.8895	0.127	2	127.8895	0.016	2	127.8895	0.016	2	127.8895	0.016	2	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[5a]-3:C[5a]-3:	C[5,5]-4:C[5a]-3:C[5]-3:	N[5a]-3:C[5a]-3:O-1:	C[5a](N[5]C[5,5]C[5])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5a]C[5a]2)(C[5]C[5]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(O)	C[5a](N[5]C[5,5]C[5])(C[5a]N[5a]C)(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5a]C[5a]2)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(O){3|C<3>,3|C<4>}	121.3960	0.000	1	121.3960	0.000	1	121.3960	0.000	1	125.9265	41.051	2	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	4:3:3:	3:3:1:	N[5a]-3:C[5a]-3:N[5]-3:	C[5]-4:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]N[5a])(C[5]C[5,6a]O){1|H<1>,1|N<2>,6|C<3>}	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	130.4570	0.000	1	130.4570	0.000	1	130.4570	0.000	1	125.9265	41.051	2	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	4:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5]-4:C[5a]-3:C[5]-3:	N[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[5a]C[5a]2)(C[5]C[5]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	N[5](C[5]C[6a]S[5]H)(C[5a]C[5a]2)(C[5]C[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(NHH){2|C<4>,3|C<3>}	125.7800	0.225	2	125.7800	0.051	2	125.7800	0.051	2	125.7800	0.051	2	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP2	C[5a]	N[5]	C[5a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[5a]-3:C[5a]-3:	C[5,5]-4:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](N[5]C[5,5]C[5])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5a]C[5a]2)(C[5]C[5]O)	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3)	C[5a](N[5]C[5,5]C[5])(C[5a]N[5a]C)(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<4>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5a]C[5a]2)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|N<3>}	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	128.2760	0.000	1	128.2760	0.000	1	128.2760	0.000	1	128.2760	0.000	1	128.0978	10.142	35	131.2667	33.282	70
727	542	727	0:SP2_SP2_SP3	C[5,5a]	N[5]	C[5a]	3:3:3:	3:4:4:	3:3:1:	N[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-4:S-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(N[5]C[5]S)	N[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(SC[6a]OO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(N[5]C[5]S){3|C<3>,3|H<1>}	N[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	139.7053	0.693	3	139.7053	0.481	3	139.7053	0.481	3	139.7053	0.481	3	139.7053	0.481	3	134.5517	24.674	8
727	542	727	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,1|N<3>,2|C<3>,2|N<2>,6|H<1>}	N[5](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5]){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	129.7390	0.000	1	129.7390	0.000	1	129.7390	0.000	1	129.7390	0.000	1	130.1305	0.307	2	134.5517	24.674	8
727	542	727	0:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(COO)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(N[5]C[5]C){1|C<3>,3|C<4>,6|H<1>}	N[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[6a]C[5])(C[5]C[5]CH){3|C<3>,3|C<4>,3|H<1>}	130.5220	0.000	1	130.5220	0.000	1	130.5220	0.000	1	130.5220	0.000	1	130.1305	0.307	2	134.5517	24.674	8
727	542	727	0:SP2_SP2_SP3	C[5a]	N[5]	C[5a]	3:3:2:	3:3:4:	3:3:2:	C[5a]-3:N[5]-3:O[5a]-2:	C[5,6a]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5]C[5,6a]C[5])(O[5a]C[5a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]HH)	C[5a](C[5a]O[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5]C[5,6a]C[5])(O[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]HH){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a]O[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	135.1130	0.000	1	135.1130	0.000	1	135.1130	0.000	1	135.1130	0.000	1	132.3457	19.037	3	134.5517	24.674	8
727	542	727	0:SP2_SP2_SP3	C[5a]	N[5]	C[5a]	3:3:2:	4:3:4:	3:3:1:	N[5]-3:C[5a]-3:N[5a]-2:	C[5,5,6]-4:C[5a]-3:S[5]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5]C[5,5,6]S[5])(C[5a]C[5a]H)(N[5a]N[5a])	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5a]C[5a]N[5a])(S[5]C[5]OO)	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H)	C[5a](N[5]C[5,5,6]S[5])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,2|O<1>,4|C<4>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5a]C[5a]N[5a])(S[5]C[5]OO){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|S<4>}	127.3160	0.000	1	127.3160	0.000	1	127.3160	0.000	1	127.3160	0.000	1	132.3457	19.037	3	134.5517	24.674	8
727	542	727	0:SP2_SP2_SP3	C[5a]	N[5]	C[5a]	3:3:3:	3:4:3:	3:3:2:	C[5a]-3:N[5a]-3:N[5]-3:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	134.6080	0.000	1	134.6080	0.000	1	134.6080	0.000	1	134.6080	0.000	1	132.3457	19.037	3	134.5517	24.674	8
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5,6]	C[5,5a]	3:3:2:	3:3:4:	3:3:2:	C[5,5a]-3:N[5,6]-3:S[5a]-2:	C[5,5a]-3:C[5,6]-3:B[6]-4:	C[5,5a]-3:N[5a,6]-3:S[5]-2:	C[5,5a](C[5,5a]N[5a,6]S[5])(N[5,6]C[5,6]B[6])(S[5a]C[5a,6])	N[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	C[5,5a](C[5,5a]N[5,6]S[5a])(N[5a,6]C[5a,6]B[6])(S[5]C[5,6])	C[5,5a](C[5,5a]N[5a,6]S[5])(N[5,6]C[5,6]B[6])(S[5a]C[5a,6]){1|B<4>,1|O<2>,4|C<3>}	N[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|N<3>,7|C<3>}	C[5,5a](C[5,5a]N[5,6]S[5a])(N[5a,6]C[5a,6]B[6])(S[5]C[5,6]){1|B<4>,1|O<2>,4|C<3>}	114.6560	0.011	2	114.6560	0.000	2	114.6560	0.000	2	114.6560	0.000	2	114.6560	0.000	2	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:2:3:	3:3:4:	3:2:2:	C[5,5a]-3:S[5a]-2:N[5]-3:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(N[5]C[5]C)	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CCHH)	C[5,5a](C[5,5a]S[5a]N[5])(S[5a]C[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(N[5]C[5]C){1|O<1>,1|S<1>}	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CCHH){1|C<3>,1|S<2>}	C[5,5a](C[5,5a]S[5a]N[5])(S[5a]C[5a])(S[5]C[5]){1|C<4>,1|O<1>,1|S<1>}	114.6150	0.000	1	114.6150	0.000	1	114.5507	0.018	3	114.5507	0.018	3	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:2:3:	3:3:4:	3:2:2:	C[5,5a]-3:S[5a]-2:N[5]-3:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(N[5]C[5]C)	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CC[6a]CH)	C[5,5a](C[5,5a]S[5a]N[5])(S[5a]C[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(S[5a]C[5a])(N[5]C[5]C){1|O<1>,1|S<1>}	N[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]S)(CC[6a]CH){1|C<3>,1|S<2>}	C[5,5a](C[5,5a]S[5a]N[5])(S[5a]C[5a])(S[5]C[5]){1|C<4>,1|O<1>,1|S<1>}	114.5185	0.172	2	114.5185	0.030	2	114.5507	0.018	3	114.5507	0.018	3	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:2:	3:3:3:	3:2:2:	C[5,5a]-3:N[5]-3:S[5a]-2:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(N[5]C[6a]C[5])(S[5a]C[5a])	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S)	C[5,5a](C[5,5a]S[5a]N[5])(S[5a]C[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(N[5]C[6a]C[5])(S[5a]C[5a]){1|O<1>,1|S<1>,2|C<3>}	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S){1|H<1>,1|I<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]S[5a]N[5])(S[5a]C[5a])(S[5]C[5]){1|C<3>,1|O<1>,1|S<1>}	114.5370	0.000	1	114.4447	0.007	3	114.4447	0.007	3	114.4447	0.007	3	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:2:	3:3:3:	3:2:2:	C[5,5a]-3:N[5]-3:S[5a]-2:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:S[5]-2:	C[5,5a](C[5,5a]S[5a]S[5])(N[5]C[6a]C[5])(S[5a]C[5a])	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S)	C[5,5a](C[5,5a]S[5a]N[5])(S[5a]C[5a])(S[5]C[5])	C[5,5a](C[5,5a]S[5a]S[5])(N[5]C[6a]C[5])(S[5a]C[5a]){1|O<1>,1|S<1>,2|C<3>}	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S){1|S<2>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]S[5a]N[5])(S[5a]C[5a])(S[5]C[5]){1|C<3>,1|O<1>,1|S<1>}	114.3985	0.018	2	114.4447	0.007	3	114.4447	0.007	3	114.4447	0.007	3	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2){1|O<1>,2|C<3>,3|H<1>}	109.8670	0.000	1	109.5410	0.213	2	109.5410	0.213	2	109.5410	0.213	2	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:3:	3:3:1:	3:2:3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H){1|O<1>,2|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2){1|O<1>,2|H<1>,3|C<3>}	109.2150	0.000	1	109.5410	0.213	2	109.5410	0.213	2	109.5410	0.213	2	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]N[5a]C)(N[5]C[5]H)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]H)(H)	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]N[5a]C)(N[5]C[5]H)	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]N[5a]C)(N[5]C[5]H){1|Ni<4>,1|C<3>,2|H<1>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]N[5a]C)(N[5]C[5]H){1|Ni<4>,1|C<3>,2|H<1>}	107.4468	0.301	4	107.4468	0.090	4	107.4468	0.090	4	107.4468	0.090	4	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5,5a]-3:N[5]-3:	C[5,5a]-3:C[6a]-3:P[5]-2:	C[5a,6a]-3:C[5,5a]-3:N[5]-3:	C[5,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5,5a]C[5a,6a]N[5])(N[5]C[6a]P[5])	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(P[5]N[5])	C[5,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5,5a]C[5a,6a]N[5])(N[5]C[6a]P[5])	C[5,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5,5a]C[5a,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,6|C<3>}	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(P[5]N[5]){2|C<4>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5,5a]C[5a,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,6|C<3>}	111.8055	0.730	2	111.8055	0.534	2	111.8055	0.534	2	111.8055	0.534	2	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(N[5]C[6a]C[5])	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(N[5a]C[5a]C[6a])(C[5]C[6a]C[5])	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(N[5]C[6a]C[5]){2|O<1>,6|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(N[5a]C[5a]C[6a])(C[5]C[6a]C[5]){2|O<1>,6|C<3>}	107.8270	0.000	1	107.8270	0.000	1	107.8270	0.000	1	107.7295	0.019	2	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:N[5]-3:C[5a]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a](C[5,5a]N[5a]C[5])(N[5]C[6a]C[5])(C[5a]C[5a]2)	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(N[5a]C[5a]C[6a])(C[5]C[5a]C[5])	C[5,5a](C[5,5a]N[5a]C[5])(N[5]C[6a]C[5])(C[5a]C[5a]2){1|S<2>,2|O<1>,5|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(N[5a]C[5a]C[6a])(C[5]C[5a]C[5]){1|S<2>,2|O<1>,5|C<3>}	107.6320	0.000	1	107.6320	0.000	1	107.6320	0.000	1	107.7295	0.019	2	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:3:	3:3:4:	3:2:3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.3465	0.090	2	110.4053	0.014	3	111.2253	1.036	6	111.1349	0.921	7	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:3:	3:3:4:	3:2:3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|O<1>,2|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.5230	0.000	1	110.4053	0.014	3	111.2253	1.036	6	111.1349	0.921	7	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:3:	3:3:4:	3:2:3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]C)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|O<1>,2|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.1960	0.000	1	111.1960	0.000	1	111.2253	1.036	6	111.1349	0.921	7	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:3:	3:3:4:	3:2:3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]O)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]C){1|C<3>,2|O<1>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	112.4700	0.191	2	112.4700	0.036	2	111.2253	1.036	6	111.1349	0.921	7	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:3:	3:3:4:	3:2:3:	C[5a,6a]-3:C[5,5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5]C[5]C)	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(CCHH)	C[5,5a](C[5,5a]C[5a,6a]N[5])(S[5a]C[5a,6a])(C[5]C[5]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(CCHH){1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]N[5])(S[5a]C[5a,6a])(C[5]C[5]2){1|C<4>,1|O<1>,4|C<3>}	110.5920	0.000	1	110.5920	0.000	1	110.5920	0.000	1	111.1349	0.921	7	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:3:	3:3:4:	3:3:3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]S[5a]H)(N[5]C[5]C)	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]Pd)(CH3)	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]S[5a]H)(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]S[5a]H)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|H<1>}	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]Pd)(CH3){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]S[5a]H)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|H<1>}	106.3640	0.115	2	106.3640	0.013	2	106.3640	0.013	2	106.3640	0.013	2	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:3:	3:4:4:	3:3:4:	C[5,5a]-3:N[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-4:S-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(N[5]C[5]S)	N[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(N[5]C[5]S){3|C<3>,3|H<1>}	N[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:3:	3:4:4:	3:4:2:	C[5a,6a]-3:C[5,5a]-3:N[5]-3:	C[5,5a]-3:C[5,5]-4:S-4:	C[5,5a]-3:C[5]-4:O[5a]-2:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]O[5a]C[5])(N[5]C[5,5]S)	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]N[5])(C[5]C[5,5]C[6a]H)(O[5a]C[5a,6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]O[5a]C[5])(N[5]C[5,5]S){2|H<1>,5|C<3>}	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]N[5])(C[5]C[5,5]C[6a]H)(O[5a]C[5a,6a]){1|S<4>,6|C<3>}	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5,5a]	3:3:3:	3:4:4:	3:4:3:	C[5,5a]-3:N[5a]-3:N[5]-3:	C[5,5a]-3:C[5,5]-4:S-4:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(N[5]C[5,5]S)	N[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,5a]N[5a]N[5])	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(N[5]C[5,5]S){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,5a]N[5a]N[5]){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	113.9070	0.000	1	113.9070	0.000	1	113.9070	0.000	1	113.9070	0.000	1	110.8722	8.346	28	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(N[5]C[6a]C[5])	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(N[5]C[6a]C[5]){2|O<1>,6|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]N[5a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	141.3140	0.000	1	141.3140	0.000	1	141.3140	0.000	1	141.1045	0.088	2	141.1045	0.088	2	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:N[5]-3:C[5a]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5a]-3:	C[5,5a](C[5,5a]N[5a]C[5])(N[5]C[6a]C[5])(C[5a]C[5a]2)	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]S[5a])(C[5a]N[5a]O)	C[5,5a](C[5,5a]N[5a]C[5])(N[5]C[6a]C[5])(C[5a]C[5a]2){1|S<2>,2|O<1>,5|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]S[5a])(C[5a]N[5a]O){1|H<1>,6|C<3>}	140.8950	0.000	1	140.8950	0.000	1	140.8950	0.000	1	141.1045	0.088	2	141.1045	0.088	2	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[5]C[6]H)(C[5]N[5,6]Ir)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Ir<6>,1|C<3>,4|C<4>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[5]C[6]H)(C[5]N[5,6]Ir){1|Fe<10>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Ir<6>,1|C<3>,4|C<4>,4|H<1>}	106.6260	0.564	2	106.6260	0.318	2	106.6810	0.110	4	106.6810	0.110	4	116.3239	12.948	38	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]N[5,6]Ir)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Ir<6>,2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]N[5,6]Ir){2|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Ir<6>,2|C<3>,3|C<4>,4|H<1>}	106.7360	0.031	2	106.7360	0.001	2	106.6810	0.110	4	106.6810	0.110	4	116.3239	12.948	38	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6,6a]	3:3:3:	3:5:3:	3:3:3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,2|O<2>,3|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]H){1|H<1>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,2|O<2>,3|H<1>,4|C<3>}	117.5530	0.680	2	117.5530	0.463	2	117.5530	0.463	2	118.1015	0.584	4	116.3239	12.948	38	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6,6a]	3:3:3:	3:5:3:	3:3:3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:In[5,6]-5:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,6]C[6])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(In[5,6]N[5,6]Se[6]2Cl)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,6]C[6])(C[6,6a]C[6a]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,2|Se<2>,3|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(In[5,6]N[5,6]Se[6]2Cl)(C[6]C[6]H){1|In<4>,1|In<6>,1|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,2|Se<2>,3|H<1>,4|C<3>}	118.6500	0.296	2	118.6500	0.087	2	118.6500	0.087	2	118.1015	0.584	4	116.3239	12.948	38	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:In[5]-6:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6])	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(In[5]N[5,6]O4)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6]){1|O<3>,3|H<1>,3|O<2>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(In[5]N[5,6]O4)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6]){1|O<3>,3|H<1>,3|O<2>,4|C<3>}	117.3900	1.228	4	117.3900	1.509	4	117.3900	1.509	4	116.7824	1.780	18	116.3239	12.948	38	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]Cl4)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){4|Cl<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]Cl4)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){4|Cl<1>,3|H<1>,4|C<3>}	115.5910	0.119	2	115.5910	0.014	2	115.3292	0.224	6	116.7824	1.780	18	116.3239	12.948	38	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N4)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){3|H<1>,4|C<3>,4|N<2>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N4)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){3|H<1>,4|C<3>,4|N<2>}	115.3225	0.581	2	115.3225	0.337	2	115.3292	0.224	6	116.7824	1.780	18	116.3239	12.948	38	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N[5a]2NN)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N[5a]2NN)(C[6]C[6]H){1|H<1>,4|C<3>,4|N<2>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	115.0740	0.707	2	115.0740	0.500	2	115.3292	0.224	6	116.7824	1.780	18	116.3239	12.948	38	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:Ga[5,5]-6:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Ga[5,5]N[5,6a]N[5,6]2Cl2)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Ga[5,5]N[5,6a]N[5,6]2Cl2)(C[6]C[6]H){1|H<1>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	117.1205	0.141	2	117.1205	0.020	2	117.1205	0.020	2	116.7824	1.780	18	116.3239	12.948	38	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:Ga[5,6]-6:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,6]C[6])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Ga[5,6]N[5,6]O[6]2OO)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,6]C[6])(C[6,6a]C[6a]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,6]C[6])(C[6,6a]C[6a]C[6]){1|O<3>,3|H<1>,3|O<2>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Ga[5,6]N[5,6]O[6]2OO)(C[6]C[6]H){1|H<1>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]Ga[5,6]C[6])(C[6,6a]C[6a]C[6]){1|O<3>,3|H<1>,3|O<2>,4|C<3>}	117.3175	0.962	4	117.3175	0.925	4	117.3175	0.925	4	116.7824	1.780	18	116.3239	12.948	38	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:In[5,5]-6:C[6]-3:	C[5,6,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(In[5,5]N[5,6a]N[5,6]2II)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6])	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6]){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(In[5,5]N[5,6a]N[5,6]2II)(C[6]C[6]H){1|H<1>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6]){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	118.5190	0.511	2	118.5190	0.261	2	118.5190	0.261	2	116.7824	1.780	18	116.3239	12.948	38	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6,6a]	3:3:3:	6:3:3:	3:3:3:	N[5,6]-3:C[5,6,6a]-3:C[6,6a]-3:	In[3x4,5,3x6]-6:C[5,6,6a]-3:C[6]-3:	N[5,6]-3:C[5,6,6a]-3:C[6,6a]-3:	C[5,6,6a](N[5,6]In[3x4,5,3x6]C[6])(C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])	N[5,6](In[3x4,5,3x6]S[3x4,3x6]3N[5,6]Cl)(C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[6]H)	C[5,6,6a](N[5,6]In[3x4,5,3x6]C[6])(C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])	C[5,6,6a](N[5,6]In[3x4,5,3x6]C[6])(C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6]){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	N[5,6](In[3x4,5,3x6]S[3x4,3x6]3N[5,6]Cl)(C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[6]H){3|In<6>,1|H<1>,4|C<3>}	C[5,6,6a](N[5,6]In[3x4,5,3x6]C[6])(C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6]){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	118.2578	1.107	12	118.2578	1.226	12	118.2578	1.226	12	118.2578	1.226	12	116.3239	12.948	38	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Ga[5]-4:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6])	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ga[5]N[5,6a]OO)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6]){2|O<2>,3|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ga[5]N[5,6a]OO)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2){2|O<2>,3|H<1>,4|C<3>}	117.4170	0.000	1	117.4170	0.000	1	117.4170	0.000	1	117.4170	0.000	1	116.7643	2.142	14	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Ga[5]-6:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6])	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ga[5]N[5,6a]F3O)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6]){1|O<3>,3|F<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ga[5]N[5,6a]F3O)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2){1|O<3>,3|F<1>,3|H<1>,4|C<3>}	116.6770	0.000	1	116.6770	0.000	1	116.6770	0.000	1	116.5371	1.845	8	116.7643	2.142	14	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:In[5]-6:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6])	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(In[5]N[5,6a]ClO3)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]In[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6]){1|Cl<1>,3|H<1>,3|O<2>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(In[5]N[5,6a]ClO3)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]In[5])(C[6a,6a]C[6a]2){1|Cl<1>,3|H<1>,3|O<2>,4|C<3>}	118.9810	0.000	1	118.9810	0.000	1	118.9810	0.000	1	116.5371	1.845	8	116.7643	2.142	14	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]CF3)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){1|C<2>,3|F<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]CF3)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){1|C<2>,3|F<1>,3|H<1>,4|C<3>}	115.5005	0.306	2	115.5005	0.094	2	115.4417	0.080	4	116.5371	1.845	8	116.7643	2.142	14	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]Cl4)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){4|Cl<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]Cl4)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){4|Cl<1>,3|H<1>,4|C<3>}	115.6390	0.000	1	115.6390	0.000	1	115.4417	0.080	4	116.5371	1.845	8	116.7643	2.142	14	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]N[5a]2NN)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]N[5a]2NN)(C[6]C[6]H){1|H<1>,4|C<3>,4|N<2>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	115.1270	0.000	1	115.1270	0.000	1	115.4417	0.080	4	116.5371	1.845	8	116.7643	2.142	14	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:Ga[5,5]-6:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ga[5,5]N[5,6a]N[5,6]2Cl2)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Ga[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ga[5,5]N[5,6a]N[5,6]2Cl2)(C[6]C[6]H){1|H<1>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Ga[5,5]C[6a])(C[6a,6a]C[6a]2){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	117.0690	0.000	1	117.0690	0.000	1	117.0690	0.000	1	116.5371	1.845	8	116.7643	2.142	14	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6,6a]-3:In[5,5]-6:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(In[5,5]N[5,6a]N[5,6]2II)(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6]){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(In[5,5]N[5,6a]N[5,6]2II)(C[6]C[6]H){1|H<1>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[5,5]C[6a])(C[6a,6a]C[6a]2){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	116.5371	1.845	8	116.7643	2.142	14	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a,6a]	3:3:3:	6:3:3:	3:3:3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	In[3x4,5,3x6]-6:C[5,6,6a]-3:C[6]-3:	N[5,6a]-3:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[3x4,5,3x6]C[6])(C[6,6a]C[6a]C[6])	N[5,6](In[3x4,5,3x6]S[3x4,3x6]3N[5,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H)	C[5,6a,6a](N[5,6a]In[3x4,5,3x6]C[6a])(C[5,6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[3x4,5,3x6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	N[5,6](In[3x4,5,3x6]S[3x4,3x6]3N[5,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H){3|In<6>,1|H<1>,4|C<3>}	C[5,6a,6a](N[5,6a]In[3x4,5,3x6]C[6a])(C[5,6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	118.1600	0.588	2	118.1600	0.346	2	118.1600	0.346	2	116.9972	3.455	5	116.7643	2.142	14	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a,6a]	3:3:3:	6:3:3:	3:3:3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	In[4,5,6]-6:C[5,6,6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[4,5,6]C[6])(C[6,6a]C[6a]C[6])	N[5,6](In[4,5,6]N[5,6a]Se[4,6]Se[4]Se[6]Cl)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[4,5,6]C[6a])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[4,5,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|Se<3>,2|Se<2>,3|H<1>,4|C<3>}	N[5,6](In[4,5,6]N[5,6a]Se[4,6]Se[4]Se[6]Cl)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H){1|In<5>,2|In<4>,1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[4,5,6]C[6a])(C[6a,6a]C[6a]2){1|Cl<1>,1|Se<3>,2|Se<2>,3|H<1>,4|C<3>}	118.6620	0.000	1	118.6620	0.000	1	118.6620	0.000	1	116.9972	3.455	5	116.7643	2.142	14	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a,6a]	3:3:3:	6:3:3:	3:3:3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	Si[3x5]-6:C[5,6,6a]-3:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Si[3x5]C[6])(C[6,6a]C[6a]C[6])	N[5,6](Si[3x5]N[5,6a]2N[5,6]O[5]2)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Si[3x5]C[6a])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Si[3x5]C[6])(C[6,6a]C[6a]C[6]){2|N<3>,2|O<2>,3|H<1>,4|C<3>}	N[5,6](Si[3x5]N[5,6a]2N[5,6]O[5]2)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H){10|C<3>,1|H<1>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Si[3x5]C[6a])(C[6a,6a]C[6a]2){2|N<3>,2|O<2>,3|H<1>,4|C<3>}	115.0020	0.195	2	115.0020	0.038	2	115.0020	0.038	2	116.9972	3.455	5	116.7643	2.142	14	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[5a,6]-3:C[5]-4:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](N[5,6]C[5a,6]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[5]C[5]HH)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](N[5,6]C[5a,6]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|N<2>,1|N<3>,3|C<3>,6|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.7300	0.000	1	110.7300	0.000	1	110.7300	0.000	1	110.7300	0.000	1	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[5]-3:C[6]-4:	C[5,6,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,5]O)(C[6]C[6]CC)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|H<1>,1|O<2>,2|O<1>,5|C<4>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,5]O)(C[6]C[6]CC){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	110.4010	0.000	1	110.4010	0.000	1	110.4010	0.000	1	110.4010	0.000	1	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6,6a](C[6,6a]C[5a,6]C[6a])(C[5,6a]C[6a]C[5])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[5a,6]HH)(C[5]C[5]O)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6,6a](C[6,6a]C[5a,6]C[6a])(C[5,6a]C[6a]C[5])(N[5,6]C[5]C[6]){1|S<2>,2|C<3>,2|O<1>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	112.5255	0.143	4	112.5255	0.020	4	112.5255	0.020	4	112.5255	0.020	4	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<4>,3|C<3>,6|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	112.0040	0.000	1	112.1353	0.022	3	111.0542	4.690	4	111.0534	2.406	7	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){4|C<3>,6|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	112.2010	0.137	2	112.1353	0.022	3	111.0542	4.690	4	111.0534	2.406	7	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	107.8110	0.000	1	107.8110	0.000	1	111.0542	4.690	4	111.0534	2.406	7	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(C[5]C[5]O)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.5870	0.000	1	110.5870	0.000	1	111.0523	0.182	3	111.0534	2.406	7	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	111.1450	0.000	1	111.1450	0.000	1	111.0523	0.182	3	111.0534	2.406	7	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	111.4250	0.000	1	111.4250	0.000	1	111.0523	0.182	3	111.0534	2.406	7	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Si[5]-4:C[6]-4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[5]O[5]CO)(C[6]C[6]CH)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[5])	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[5]O[5]CO)(C[6]C[6]CH){1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[5]-4:C[6]-4:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	111.2690	0.000	1	111.2690	0.000	1	111.2690	0.000	1	113.1020	6.720	2	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[6]-4:P[5]-4:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[6]P[5])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(P[5]C[5]OO)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]P[5]CH)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[6]P[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(P[5]C[5]OO){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]P[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	114.9350	0.000	1	114.9350	0.000	1	114.9350	0.000	1	113.1020	6.720	2	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[5]-4:C[6]-4:	C[5,6,6a]-3:P[5]-4:C[6a]-3:	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Rh<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	115.9160	0.000	1	115.9160	0.000	1	115.9160	0.000	1	115.9160	0.000	1	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:5:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]C)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5])	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]C){1|H<1>,7|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5]){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	116.2390	0.000	1	116.2390	0.000	1	115.6159	0.181	8	115.6159	0.181	8	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:5:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2Cl)(C[6]C[6]C)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(O[5]Ga[5,5])	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){3|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2Cl)(C[6]C[6]C){1|H<1>,6|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(O[5]Ga[5,5]){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	114.7700	0.000	1	114.7700	0.000	1	115.6159	0.181	8	115.6159	0.181	8	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:5:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2O)(C[6]C[6]C)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5])	C[5,6,6a](N[5,6]Ga[5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2O)(C[6]C[6]C){1|H<1>,6|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	115.6530	0.175	6	115.6530	0.031	6	115.6159	0.181	8	115.6159	0.181	8	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:6:3:	3:2:3:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Si[4,5,5]-6:C[6]-3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[5,6,6a](N[5,6]Si[4,5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5,5]N[4]2O[5]3)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(O[5]Si[4,5,5])(C[6a]C[6a]H)	C[5,6,6a](N[5,6]Si[4,5,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5,5]N[4]2O[5]3)(C[6]C[6]H){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	113.3190	0.000	1	113.3190	0.000	1	113.3190	0.000	1	113.3190	0.000	1	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:6:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Ga[3x5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Ga[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[3x5]N[5,6]2O[5]3)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[3x5])	C[5,6,6a](N[5,6]Ga[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[3x5]N[5,6]2O[5]3)(C[6]C[6]H){1|H<1>,9|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[3x5]){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	114.9230	0.287	2	114.9230	0.082	2	114.9230	0.082	2	115.1677	2.578	15	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:6:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Ge[3x5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Ge[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ge[3x5]N[5,6]C[5]O[5]3)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ge[3x5])	C[5,6,6a](N[5,6]Ge[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,2|O<2>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ge[3x5]N[5,6]C[5]O[5]3)(C[6]C[6]H){2|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ge[3x5]){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	115.4735	0.056	2	115.4735	0.003	2	115.4735	0.003	2	115.1677	2.578	15	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:6:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:In[3x5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]In[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(In[3x5]N[5,6]2O[5]3)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]In[3x5])	C[5,6,6a](N[5,6]In[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(In[3x5]N[5,6]2O[5]3)(C[6]C[6]H){1|H<1>,9|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]In[3x5]){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	116.7785	0.356	6	116.7785	0.127	6	116.7785	0.127	6	115.1677	2.578	15	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:6:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Br2)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|Br<1>,2|C<3>,2|N<3>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Br2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){2|Br<1>,1|H<1>,2|N<3>,3|C<3>}	112.7330	0.000	1	112.7330	0.000	1	113.2102	0.084	5	115.1677	2.578	15	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:6:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Cl2)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|C<3>,2|N<3>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]Cl2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){2|Cl<1>,1|H<1>,2|N<3>,3|C<3>}	113.3300	0.000	1	113.3300	0.000	1	113.2102	0.084	5	115.1677	2.578	15	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:6:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Si[4,5]-6:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	C[5,6,6a](N[5,6]Si[4,5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){2|C<3>,2|N<2>,2|N<3>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[4,5]N[4]2O[5]NN)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	113.3293	0.162	3	113.3293	0.026	3	113.2102	0.084	5	115.1677	2.578	15	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:7:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:Nb[3x5]-7:C[6]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,6,6a](N[5,6]Nb[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Nb[3x5]N[5,6]2O[5]3O)(C[6]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Nb[3x5])	C[5,6,6a](N[5,6]Nb[3x5]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,2|N<3>,2|O<2>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Nb[3x5]N[5,6]2O[5]3O)(C[6]C[6]H){1|H<1>,9|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Nb[3x5]){1|H<1>,1|O<1>,2|N<3>,2|O<2>,3|C<3>}	114.8675	0.993	2	114.8675	0.987	2	114.8675	0.987	2	114.8675	0.987	2	113.9369	4.809	43	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(P[5]C[5,5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(P[5]C[5,5]){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(N[5]C[5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(N[5]C[5]){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	104.4040	0.000	1	104.4040	0.000	1	104.4040	0.000	1	104.4040	0.000	1	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(C[5,5]P[5]S[5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|P<2>,1|S<2>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5])(C[5,5]P[5]S[5]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|P<2>,2|C<3>,2|H<1>}	110.1700	0.000	1	110.1700	0.000	1	110.1700	0.000	1	110.5970	0.365	2	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]Se[5]S[5])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]Se[5]S[5])(C[5]C[6a]C[5]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|Se<2>,2|C<3>,2|H<1>}	111.0240	0.000	1	111.0240	0.000	1	111.0240	0.000	1	110.5970	0.365	2	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]Se[5]N)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>,2|N<2>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]Se[5]N){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<2>,2|C<3>,2|H<1>}	105.3510	0.000	1	105.3510	0.000	1	105.3510	0.000	1	105.3047	0.039	3	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,2|C<3>,2|H<1>}	105.0880	0.000	1	105.0880	0.000	1	105.2815	0.075	2	105.3047	0.039	3	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5]){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|B<4>,2|C<3>,2|H<1>}	105.4750	0.000	1	105.4750	0.000	1	105.2815	0.075	2	105.3047	0.039	3	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5])	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	109.5870	0.000	1	109.3080	0.156	2	109.3080	0.156	2	109.3080	0.156	2	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5])	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]B[5]N[5]){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	109.0290	0.000	1	109.3080	0.156	2	109.3080	0.156	2	109.3080	0.156	2	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]O)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	108.2010	0.000	1	108.2010	0.000	1	108.9065	0.995	2	108.9065	0.995	2	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	109.6120	0.000	1	109.6120	0.000	1	108.9065	0.995	2	108.9065	0.995	2	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]S[5])(C[5]C[5]CH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]S[5])(C[5]C[5]CH){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5,5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5,5]HH){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,2|H<1>}	106.2240	0.000	1	106.2240	0.000	1	105.5365	0.945	2	108.0815	4.205	12	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,2|H<1>}	104.8490	0.000	1	104.8490	0.000	1	105.5365	0.945	2	108.0815	4.205	12	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]Cu)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Cu<4>,1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH){1|Cu<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]Cu)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	105.2480	0.000	1	105.2480	0.000	1	105.2480	0.000	1	108.0815	4.205	12	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]N[5,5]Pd)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]N[5,5]Pd)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	107.0780	0.601	2	107.0780	0.361	2	107.0780	0.361	2	108.0815	4.205	12	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a]-3:C[5,5]-3:B[5]-4:	C[5,6a]-3:C[6a,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,5]C[5,5]B[5])	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5])(B[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,5]C[6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,5]C[5,5]B[5]){1|H<1>,2|C<4>,7|C<3>}	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5])(B[5]C[5,6a]CC){6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,5]C[6a]){1|B<4>,1|H<1>,7|C<3>}	108.7845	0.342	4	108.7845	0.117	4	108.7845	0.117	4	108.0815	4.205	12	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]N[5]2)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]N[5]2){1|O<2>,2|H<1>,2|S<4>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	108.0815	4.205	12	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2Se)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2Se){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	111.0880	0.567	2	111.0880	0.322	2	111.0880	0.322	2	108.0815	4.205	12	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]N[5]2)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]N[5]2){1|O<2>,2|H<1>,2|S<4>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<3>,4|C<3>}	111.5400	0.000	1	111.5400	0.000	1	111.5400	0.000	1	111.5400	0.000	1	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:5:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Si[5,5]-5:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,5]C[5,6a]Si[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(Si[5,5]O[5]2CC)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Si[5,5])	C[5,6a](N[5,5]C[5,6a]Si[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(Si[5,5]O[5]2CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Si[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.0645	0.097	2	110.0645	0.009	2	110.0645	0.009	2	110.0645	0.009	2	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:5:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2Cl2)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2Cl2){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	109.0660	0.000	1	109.0660	0.000	1	110.0501	0.578	13	110.0501	0.578	13	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:5:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HN)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HN){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	110.6510	0.052	2	110.7177	0.207	6	110.0501	0.578	13	110.0501	0.578	13	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:5:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HN)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HN){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){2|C<3>,2|N<3>,3|H<1>}	110.7510	0.583	4	110.7177	0.207	6	110.0501	0.578	13	110.0501	0.578	13	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:5:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-5:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HO)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2HO){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	109.5465	0.383	6	109.5465	0.146	6	110.0501	0.578	13	110.0501	0.578	13	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:5:	3:4:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Nb[5,5]-5:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]P[5]2CO)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]P[5]2CO){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	118.8815	0.276	2	118.8815	0.076	2	118.8815	0.076	2	118.8815	0.076	2	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:6:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Nb[5,5]-6:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]O[5]2Cl2O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5])	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|Cl<1>,1|O<2>,1|O<3>,2|C<4>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]O[5]2Cl2O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5]){2|Cl<1>,1|O<2>,1|O<3>,2|C<3>,2|H<1>}	110.7035	0.272	2	110.7035	0.074	2	110.8027	0.067	3	110.8027	0.067	3	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:6:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Nb[5,5]-6:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]O[5]2Cl3)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5])	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|Cl<1>,1|O<2>,2|C<4>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]O[5]2Cl3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5]){3|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	111.0010	0.000	1	111.0010	0.000	1	110.8027	0.067	3	110.8027	0.067	3	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:6:	3:4:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Nb[5,5]-6:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]P[5]2CCO)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,3|C<3>,4|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]P[5]2CCO){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|P<4>,2|C<3>,3|C<4>}	119.2115	1.118	2	119.2115	1.250	2	119.2253	0.445	4	119.2253	0.445	4	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:6:	3:4:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:Nb[5,5]-6:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]P[5]2COO)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|P<4>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(Nb[5,5]P[5]2COO){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|P<4>,2|O<2>,3|C<3>}	119.2390	0.293	2	119.2390	0.086	2	119.2253	0.445	4	119.2253	0.445	4	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:7:	3:4:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:Nb[5,5]-7:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](N[5,5]Nb[5,5]C[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(Nb[5,5]P[5]2Cl4)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	C[5,6a](N[5,5]Nb[5,5]C[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){4|Cl<1>,1|C<2>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(Nb[5,5]P[5]2Cl4){1|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){4|Cl<1>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	119.5250	0.000	1	119.5250	0.000	1	119.5250	0.000	1	119.5250	0.000	1	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:2:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[3x5]-4:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]O[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(O[5]C[5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.6560	0.000	1	111.6560	0.000	1	111.6560	0.000	1	111.6117	0.008	3	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:2:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3]C[5]2)(O[5]C[5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3]C[5]2)(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.5110	0.000	1	111.5110	0.000	1	111.5895	0.012	2	111.6117	0.008	3	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:2:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(O[5]C[5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.6680	0.000	1	111.6680	0.000	1	111.5895	0.012	2	111.6117	0.008	3	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:N[5,5]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(N[5,5]C[5]N[5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5,5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(N[5,5]C[5]N[5]){1|Re<6>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5,5]){1|C<4>,2|C<3>,2|H<1>}	104.1420	0.000	1	104.1420	0.000	1	104.1420	0.000	1	104.1420	0.000	1	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[5,5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,5]C[6a]2)(C[5,5]C[5,5]N[5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,5]C[6a]2)(C[5,5]C[5,5]N[5]){1|Fe<10>,1|H<1>,3|C<4>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	107.4377	0.195	3	107.4377	0.038	3	107.2865	0.117	4	108.4484	2.279	7	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:B[5]-4:C[5,5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5,5]C[5,6a]N[5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5,5]C[5,6a]N[5]){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,2|C<3>,2|H<1>}	106.8330	0.000	1	106.8330	0.000	1	107.2865	0.117	4	108.4484	2.279	7	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	109.7230	0.519	2	109.7230	0.269	2	109.9977	0.361	3	108.4484	2.279	7	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,2|O<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	110.5470	0.000	1	110.5470	0.000	1	109.9977	0.361	3	108.4484	2.279	7	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	109.7640	0.000	1	109.7640	0.000	1	109.7640	0.000	1	108.8707	0.375	15	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	109.1705	0.073	2	109.1705	0.005	2	108.8069	0.338	14	108.8707	0.375	15	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	110.1710	0.000	1	109.6080	0.634	2	108.8069	0.338	14	108.8707	0.375	15	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	109.0450	0.000	1	109.6080	0.634	2	108.8069	0.338	14	108.8707	0.375	15	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	108.1620	0.000	1	108.1620	0.000	1	108.8069	0.338	14	108.8707	0.375	15	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	108.5720	0.000	1	108.5720	0.000	1	108.8069	0.338	14	108.8707	0.375	15	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]O){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	108.5305	0.305	2	108.5305	0.093	2	108.8069	0.338	14	108.8707	0.375	15	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O){3|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	108.7755	0.948	2	108.7380	0.454	3	108.8069	0.338	14	108.8707	0.375	15	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	108.6630	0.000	1	108.7380	0.454	3	108.8069	0.338	14	108.8707	0.375	15	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H){3|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	108.4850	0.000	1	108.4850	0.000	1	108.8069	0.338	14	108.8707	0.375	15	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	108.1740	0.000	1	108.6225	0.402	2	108.8069	0.338	14	108.8707	0.375	15	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	109.0710	0.000	1	108.6225	0.402	2	108.8069	0.338	14	108.8707	0.375	15	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	109.8260	0.000	1	109.8260	0.000	1	109.8260	0.000	1	109.8260	0.000	1	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6,6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6,6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6,6a]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6,6a]C)(O[5]C[5,5]){1|C<3>,1|H<1>,4|C<4>}	109.3430	0.000	1	109.3430	0.000	1	109.3430	0.000	1	111.6445	7.576	6	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,2|C<4>,3|H<1>}	114.0620	0.136	2	114.0620	0.018	2	114.1517	0.033	3	111.6445	7.576	6	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,2|C<4>,3|H<1>}	114.3310	0.000	1	114.3310	0.000	1	114.1517	0.033	3	111.6445	7.576	6	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HN){1|Cl<1>,2|H<1>,2|N<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	109.1650	0.000	1	109.1650	0.000	1	109.0345	0.034	2	111.6445	7.576	6	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	108.9040	0.000	1	108.9040	0.000	1	109.0345	0.034	2	111.6445	7.576	6	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.8830	0.000	1	112.8830	0.000	1	112.8830	0.000	1	112.8830	0.000	1	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH){1|N<3>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	111.8025	0.036	2	111.8025	0.001	2	111.8025	0.001	2	110.9855	0.891	4	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:P[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(P[5]O[5]PdO)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(P[5]O[5]PdO){2|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	110.1685	0.049	2	110.1685	0.002	2	110.1685	0.002	2	110.9855	0.891	4	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	112.3390	0.000	1	112.3390	0.000	1	112.3390	0.000	1	112.3390	0.000	1	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6]C[5,5,6]C[6]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.9440	0.177	2	109.9440	0.031	2	109.9440	0.031	2	109.3917	0.931	3	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6,6]C[3x6]C[5,5]C[6,6])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6,6]C[3x6]C[5,5]C[6,6])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,6|H<1>}	108.2870	0.000	1	108.2870	0.000	1	108.2870	0.000	1	109.3917	0.931	3	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){4|H<1>,7|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	115.2920	0.000	1	115.2920	0.000	1	115.2920	0.000	1	115.2920	0.000	1	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	5:3:3:	3:2:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[4,5,5]-5:C[5,6a]-3:C[5]-3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](N[5,5]Si[4,5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,5](Si[4,5,5]N[5,5a]C[4]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(O[5]Si[4,5,5])(C[6a]C[6a]H)	C[5,6a](N[5,5]Si[4,5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[5,5](Si[4,5,5]N[5,5a]C[4]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.5275	0.165	4	108.5275	0.027	4	108.5275	0.027	4	108.5275	0.027	4	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	5:3:3:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Ga[5,5]-5:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|Ga<5>,2|C<3>,2|H<1>}	106.7060	0.240	2	106.7060	0.058	2	106.7060	0.058	2	108.5010	2.726	5	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	5:3:3:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[5,5]-5:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5])	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]O){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5]){1|N<3>,2|H<1>,4|C<3>}	109.4370	0.000	1	109.4370	0.000	1	109.6977	0.053	3	108.5010	2.726	5	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	5:3:3:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[5,5]-5:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,5](Si[5,5]N[5,5a]C[6a]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5])	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5,5](Si[5,5]N[5,5a]C[6a]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	109.8280	0.059	2	109.8280	0.004	2	109.6977	0.053	3	108.5010	2.726	5	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	5:3:3:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Ga[5,5]-5:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N[5,5](Ga[5,5]N[5,5,6]N[5,5]Cl2)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Ga<5>,2|C<3>,2|H<1>}	108.0135	0.183	4	108.0135	0.033	4	108.0135	0.033	4	108.0135	0.033	4	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	5:3:4:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Br)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5])	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>,4|H<1>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Br)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5]){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.8060	0.000	1	116.8060	0.000	1	116.6551	0.040	7	116.6551	0.040	7	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	5:3:4:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5])	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,3|C<3>,4|H<1>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5]){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.6950	0.202	2	116.6950	0.041	2	116.6551	0.040	7	116.6551	0.040	7	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	5:3:4:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5])	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	N[5,5](Si[5,5]N[5,6]C[6a]S[5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	116.5783	0.277	3	116.5783	0.077	3	116.6551	0.040	7	116.6551	0.040	7	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	5:3:4:	3:3:2:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,5](Si[5,5]N[5,6]S[5]CO)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5])	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	N[5,5](Si[5,5]N[5,6]S[5]CO)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	116.6550	0.000	1	116.6550	0.000	1	116.6551	0.040	7	116.6551	0.040	7	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	6:3:2:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	In[5,5]-6:C[5,6a]-3:N[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](N[5,5]In[5,5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](In[5,5]N[5,6]N[5]Cl3)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6])	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]In[5,5]C[6])(C[6a]C[6a]H)	C[5,6a](N[5,5]In[5,5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	N[5,5](In[5,5]N[5,6]N[5]Cl3)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]In[5,5]C[6])(C[6a]C[6a]H){3|Cl<1>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	114.9970	0.000	1	114.9970	0.000	1	114.9970	0.000	1	114.9970	0.000	1	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	6:3:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	Si[3x5]-6:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5,5]Si[3x5]C[5])(C[6a]C[6a]H)	N[5,5](Si[3x5]N[5,5a]2N[5,5]C[6a]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5,5]Si[3x5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5,5]Si[3x5]C[5])(C[6a]C[6a]H){2|N<3>,3|H<1>,5|C<3>}	N[5,5](Si[3x5]N[5,5a]2N[5,5]C[6a]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H){11|C<3>,1|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5,5]Si[3x5]C[5])(C[6a]C[6a]H){2|N<3>,3|H<1>,5|C<3>}	112.9591	0.084	8	112.9591	0.007	8	112.9591	0.007	8	112.9591	0.007	8	110.6090	11.647	122	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6,6]-3:C[5,6a]-3:B[3x6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6,6]N[5,6,6]B[3x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(C[5,6a]C[5,6a]C[6a])(B[3x6]N[5,6,6]2H)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]N[5,6,6]C)(C[6a]C[6a]H)	C[5,6a](N[5,6,6]N[5,6,6]B[3x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Nb<7>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(C[5,6a]C[5,6a]C[6a])(B[3x6]N[5,6,6]2H){2|Cl<1>,1|C<4>,1|H<1>,2|N<3>,6|C<3>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]N[5,6,6]C)(C[6a]C[6a]H){1|Nb<7>,1|B<4>,1|C<3>,2|H<1>}	107.7587	0.778	3	107.7587	0.605	3	107.7587	0.605	3	107.7587	0.605	3	108.9847	1.295	9	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6,6]	C[5,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]HH)(C[6a]C[6a]H)	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]HH)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	108.5520	0.000	1	108.5520	0.000	1	108.5520	0.000	1	108.5520	0.000	1	108.9847	1.295	9	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,3x6]-4:C[5,6a]-3:C[6,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6,6]C[5,5,3x6]C[6,6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6,6](C[5,5,3x6]N[5,6,6]C[5,5]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O)	C[5,6a](C[5,5]C[5,5,3x6]C[5]O)(C[5,6a]N[5,6,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6,6]C[5,5,3x6]C[6,6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>,3|C<4>}	N[5,6,6](C[5,5,3x6]N[5,6,6]C[5,5]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O){1|O<1>,2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5,3x6]C[5]O)(C[5,6a]N[5,6,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.9130	0.000	1	109.9130	0.000	1	109.9130	0.000	1	109.9130	0.000	1	108.9847	1.295	9	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6,6]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]2O)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H)	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]2O){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	110.5270	0.000	1	110.5270	0.000	1	110.5270	0.000	1	110.5270	0.000	1	108.9847	1.295	9	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6,6]	C[5,6a]	3:3:3:	4:4:3:	3:2:3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]O[5]C)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]O[5]C)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	109.7445	0.220	2	109.7445	0.048	2	109.7445	0.048	2	109.5313	0.161	3	108.9847	1.295	9	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6,6]	C[5,6a]	3:3:3:	4:4:3:	3:2:3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:C[5,6a]-3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,6,6](C[5,6,6]C[3x6]C[6a]O[5])(C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[5,6,6](C[5,6,6]C[3x6]C[6a]O[5])(C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	109.1050	0.000	1	109.1050	0.000	1	109.1050	0.000	1	109.5313	0.161	3	108.9847	1.295	9	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:N[6a]-2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(N[6a]C[6a])	N[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5a,6]N[5])(C[6]C[6]C)	C[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5a,6]N[5])(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Br<1>,3|C<3>}	105.6900	0.000	1	105.6900	0.000	1	105.6900	0.000	1	105.6900	0.000	1	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]O[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(O[6]C[5,6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(O[6]C[5,6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|O<2>,2|C<3>,2|H<1>}	110.0845	0.890	2	110.0845	0.793	2	110.0845	0.793	2	110.0845	0.793	2	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:B[6]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]N[5])(C[5,6]S[5]S[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]N[5])(C[5,6]S[5]S[6]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<3>,1|C<3>,1|S<2>,2|H<1>}	112.7645	0.170	2	112.7645	0.029	2	112.7645	0.029	2	109.6472	12.815	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|H<1>,3|C<3>}	105.5400	0.000	1	105.5400	0.000	1	105.2105	0.079	4	109.6472	12.815	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6])(C[6]N[5,6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6])(C[6]N[5,6]O){1|Si<5>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<2>,2|C<3>,2|H<1>}	104.9770	0.027	2	105.1007	0.046	3	105.2105	0.079	4	109.6472	12.815	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6])(C[6]N[5,6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]O[5]O[6])(C[6]N[5,6]O){1|Si<6>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<2>,2|C<3>,2|H<1>}	105.3480	0.000	1	105.1007	0.046	3	105.2105	0.079	4	109.6472	12.815	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){2|H<1>,3|C<3>}	110.6640	0.000	1	110.6640	0.000	1	111.8837	1.040	4	109.6472	12.815	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]C)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|N<2>,2|C<3>,2|H<1>}	113.0920	0.000	1	113.0920	0.000	1	111.8837	1.040	4	109.6472	12.815	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|N<2>,2|C<3>,2|H<1>}	111.5950	0.000	1	111.8895	0.173	2	111.8837	1.040	4	109.6472	12.815	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|N<2>,2|C<3>,2|H<1>}	112.1840	0.000	1	111.8895	0.173	2	111.8837	1.040	4	109.6472	12.815	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]S[5])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]S[5]){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	112.2130	0.000	1	112.2130	0.000	1	112.2130	0.000	1	109.6472	12.815	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.3660	0.147	2	108.3660	0.022	2	109.1254	0.734	5	108.0389	4.065	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]O){1|Pt<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	109.8100	0.000	1	109.6317	0.497	3	109.1254	0.734	5	108.0389	4.065	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]O){1|Pt<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	110.2300	0.000	1	109.6317	0.497	3	109.1254	0.734	5	108.0389	4.065	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]O){1|Pt<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	108.8550	0.000	1	109.6317	0.497	3	109.1254	0.734	5	108.0389	4.065	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5a,6a]-3:N[5]-3:	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5a,6a]N[5])(N[5,6]C[5,6]C[6])	N[5,6](C[5,6a]C[5a,6a]C[5,6a])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,6a](C[5,6a]C[5a,6a]N[5,6])(C[5a,6a]C[5a,6a]N[5a])(N[5]C[5,6]Cu)	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5a,6a]N[5])(N[5,6]C[5,6]C[6]){1|Cu<4>,1|H<1>,2|N<2>,5|C<3>}	N[5,6](C[5,6a]C[5a,6a]C[5,6a])(C[5,6]C[6]N[5])(C[6]C[6]H){1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]N[5,6])(C[5a,6a]C[5a,6a]N[5a])(N[5]C[5,6]Cu){1|N<2>,1|N<3>,1|S<2>,3|C<3>}	104.6920	0.000	1	104.6920	0.000	1	104.6920	0.000	1	108.0389	4.065	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]N[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]N[6]){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|N<2>,2|C<3>,2|H<1>}	105.9530	0.000	1	105.9530	0.000	1	105.9530	0.000	1	108.0389	4.065	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.0630	0.000	1	107.7660	0.176	2	108.2180	0.701	3	108.2180	0.701	3	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.4690	0.000	1	107.7660	0.176	2	108.2180	0.701	3	108.2180	0.701	3	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.1220	0.000	1	109.1220	0.000	1	108.2180	0.701	3	108.2180	0.701	3	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	106.6880	0.518	2	106.6880	0.268	2	106.4199	0.223	17	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	106.7770	0.000	1	106.7770	0.000	1	106.4199	0.223	17	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]OO)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]OO){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	106.9150	0.000	1	106.9150	0.000	1	106.4199	0.223	17	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[6]FF){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	106.0938	0.376	5	106.0938	0.141	5	106.4199	0.223	17	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]O[6]FF){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	106.4500	0.000	1	106.4500	0.000	1	106.4199	0.223	17	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(B[6]O[6]FF){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	106.2872	0.336	6	106.2872	0.113	6	106.4199	0.223	17	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]O[5])(B[6]C[6,6a]Cl2)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]O[5])(B[6]C[6,6a]Cl2){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	107.4290	0.000	1	107.4290	0.000	1	106.4199	0.223	17	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]F)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]F)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]F){1|C<3>,1|N<2>,1|O<2>,4|F<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF){1|F<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]F)(S[5]C[5,6]){1|B<4>,1|C<3>,1|N<2>,2|F<1>}	113.0500	0.000	1	113.0500	0.000	1	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]N[5a,6]OO)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]N[5a,6]OO){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	112.7150	0.000	1	112.7150	0.000	1	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]O[6]FF){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	112.6550	0.332	2	112.6550	0.110	2	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2C[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2C[6]){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	112.9990	0.000	1	112.9990	0.000	1	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	112.6286	0.218	5	112.6286	0.048	5	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]N[5a,6]CC)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	112.5920	0.000	1	112.5920	0.000	1	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	112.2960	0.000	1	112.6450	0.244	2	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	112.9940	0.000	1	112.6450	0.244	2	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5a,6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5a,6]FF){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	113.2170	0.000	1	113.2170	0.000	1	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	113.0878	0.173	6	113.0878	0.030	6	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	112.3970	0.000	1	113.0417	0.678	9	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	114.0690	1.124	2	113.0417	0.678	9	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	112.8067	0.511	6	113.0417	0.678	9	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	112.9250	0.059	3	112.9366	0.004	5	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	112.9540	0.098	2	112.9366	0.004	5	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]N[5a,6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	113.2640	0.000	1	113.2640	0.000	1	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	112.8490	0.000	1	112.9699	0.132	12	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|F<1>,1|H<1>,1|N<2>}	113.2530	0.000	1	112.9699	0.132	12	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	112.2760	0.000	1	112.9699	0.132	12	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	112.8990	0.000	1	112.9699	0.132	12	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	113.1132	0.353	6	112.9699	0.132	12	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|Br<1>,1|B<4>,1|C<3>,1|H<1>,1|N<2>}	113.0600	0.000	1	112.9699	0.132	12	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>,1|N<2>}	112.6230	0.000	1	112.9699	0.132	12	112.9320	0.196	47	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	105.5983	1.741	4	105.5983	3.031	4	105.5983	3.031	4	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>}	111.6900	0.000	1	111.6900	0.000	1	111.8879	1.017	8	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	112.8215	0.180	2	112.8215	0.033	2	111.8879	1.017	8	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6a]CH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	112.0960	0.018	2	112.0960	0.000	2	111.8879	1.017	8	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	112.3470	0.000	1	111.9510	0.314	2	111.8879	1.017	8	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	111.5550	0.000	1	111.9510	0.314	2	111.8879	1.017	8	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HN)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HN){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	109.6760	0.000	1	109.6760	0.000	1	111.8879	1.017	8	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	107.3515	0.267	2	107.3515	0.071	2	107.7333	0.099	7	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(Ga[6]O[6]CC)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(Ga[6]O[6]CC){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,2|C<3>,2|H<1>}	107.7240	0.000	1	107.7240	0.000	1	107.7333	0.099	7	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,2|C<3>,2|H<1>}	107.9265	0.168	4	107.9265	0.028	4	107.7333	0.099	7	110.7057	9.170	83	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(B[6]N[5,6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(B[6]N[5,6]FF){1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|B<4>,2|C<3>,2|H<1>}	107.4390	0.000	1	107.4390	0.000	1	107.1620	0.153	2	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(B[6]N[5,6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|F<1>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(B[6]N[5,6]FF){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	106.8850	0.000	1	106.8850	0.000	1	107.1620	0.153	2	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]CH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]CH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	110.5775	0.039	2	110.5775	0.002	2	110.5775	0.002	2	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C){1|N<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,2|H<1>}	105.6410	0.000	1	105.6410	0.000	1	106.0357	0.065	6	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){1|N<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,2|H<1>}	106.2480	0.000	1	106.0417	0.047	3	106.0357	0.065	6	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,2|H<1>}	105.9385	0.175	2	106.0417	0.047	3	106.0357	0.065	6	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[5,6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[5,6]HH){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,2|C<4>,2|H<1>}	106.2790	0.000	1	106.2790	0.000	1	106.0357	0.065	6	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]S[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]S[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	106.1690	0.000	1	106.1690	0.000	1	106.0357	0.065	6	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[5a]N[6]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]Cd)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|Cd<4>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[5a]N[6]H){1|Cd<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]Cd)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	104.0580	0.000	1	104.0580	0.000	1	104.0580	0.000	1	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:S[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a,6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(S[6]C[6,6a]OO)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,1|N<2>,2|O<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(S[6]C[6,6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5,6]C){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	106.6500	0.000	1	106.6500	0.000	1	106.1040	0.596	2	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:S[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(S[6]C[6,6a]OO)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|O<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(S[6]C[6,6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	105.5580	0.000	1	105.5580	0.000	1	106.1040	0.596	2	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:B[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(B[6]N[5,6]CC)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]B[6])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(B[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|H<1>}	108.7545	0.066	2	108.7545	0.004	2	108.7545	0.004	2	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]C[6a])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]C[6a])(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	108.3990	0.000	1	108.3990	0.000	1	108.0172	0.117	5	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Cu)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Cu<2>,1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Cu<2>,1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Cu)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	108.2890	0.000	1	108.2890	0.000	1	108.0172	0.117	5	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	107.6680	0.055	2	107.6680	0.003	2	108.0172	0.117	5	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Pd)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Pd)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	108.0620	0.000	1	108.0620	0.000	1	108.0172	0.117	5	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[6a,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,6]C[5,6]B[6])	N[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])	C[5,6a](C[5,6a]C[6a,6a]N[5,6])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6]C[6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,6]C[5,6]B[6]){1|H<1>,1|O<2>,8|C<3>}	N[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6]){10|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5,6])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6]C[6a]){1|B<4>,1|H<1>,7|C<3>}	108.4480	0.000	1	108.4480	0.000	1	108.4480	0.000	1	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[3x6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H){2|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,2|H<1>}	106.6550	0.000	2	106.6550	0.000	2	106.6550	0.000	2	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:Ga[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H)	C[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ga<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H){2|Ga<4>,1|C<3>,2|H<1>}	109.0858	0.596	4	109.0858	0.355	4	109.0858	0.355	4	107.5428	2.585	27	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(B[6]O[6]FF){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	108.7660	0.000	1	108.7660	0.000	1	108.7660	0.000	1	109.1920	0.363	2	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]HH){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]O)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	109.1920	0.363	2	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:6:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:Nb[6]-6:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,6]C[5,6]Nb[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(Nb[6]O[6]O4)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](N[5,6]C[5,6]Nb[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,5|O<2>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(Nb[6]O[6]O4){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|Nb<6>,2|C<3>,2|H<1>}	114.1860	0.000	1	114.1860	0.000	1	114.1860	0.000	1	114.1860	0.000	1	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:2:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	110.6810	0.085	3	110.6810	0.007	3	110.6810	0.007	3	110.6810	0.007	3	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:2:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	110.6300	0.000	1	110.7730	0.041	2	110.7730	0.041	2	110.7730	0.041	2	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:2:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	110.9160	0.000	1	110.7730	0.041	2	110.7730	0.041	2	110.7730	0.041	2	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]O[5])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]O[5]){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	106.9595	0.182	2	106.9595	0.033	2	106.9595	0.033	2	110.9834	7.536	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	113.1190	0.464	2	113.0020	0.149	3	112.6713	0.265	6	110.9834	7.536	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	112.7680	0.000	1	113.0020	0.149	3	112.6713	0.265	6	110.9834	7.536	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]N[5]H)(C[5,6]S[5]S[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|N<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]N[5]H)(C[5,6]S[5]S[6]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	112.1030	0.182	2	112.1030	0.033	2	112.6713	0.265	6	110.9834	7.536	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]S[5])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]S[5]){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	112.8160	0.000	1	112.8160	0.000	1	112.6713	0.265	6	110.9834	7.536	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	111.8650	0.000	1	111.8650	0.000	1	111.8650	0.000	1	110.9834	7.536	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]O[5])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]O[5]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	106.3910	0.000	1	106.3910	0.000	1	106.3910	0.000	1	110.9834	7.536	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]S[5])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]S[5]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	112.6140	0.000	1	112.6140	0.000	1	112.6140	0.000	1	110.9834	7.536	11	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]N[5])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]N[5]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	109.2000	0.000	1	109.2000	0.000	1	109.2000	0.000	1	108.0367	3.376	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.1010	0.000	1	110.1010	0.000	1	110.7805	0.923	2	108.0367	3.376	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[6]C[6]C)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	111.4600	0.000	1	111.4600	0.000	1	110.7805	0.923	2	108.0367	3.376	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]C)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]C){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	106.9980	0.000	1	106.9980	0.000	1	106.9110	0.025	3	108.0367	3.376	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	106.7290	0.000	1	106.7290	0.000	1	106.9110	0.025	3	108.0367	3.376	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]C)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]C){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	107.0060	0.000	1	107.0060	0.000	1	106.9110	0.025	3	108.0367	3.376	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[5]N[6]){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	105.7480	0.000	1	105.7480	0.000	1	105.7480	0.000	1	108.0367	3.376	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[5,6]-4:C[5,6]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]N[5])	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[5,6]C[5,6a]2O[6])(C[5,6]C[6,6a]N[5]){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	107.3190	0.000	1	107.3190	0.000	1	107.3190	0.000	1	108.0367	3.376	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:B[6,6]-4:C[5,6]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](N[5,6]B[6,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6,6]C[6,6a]2O[6])(C[5,6]C[6,6a]N[5])	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]B[6,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6,6]C[6,6a]2O[6])(C[5,6]C[6,6a]N[5]){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	107.7690	0.000	1	107.7690	0.000	1	107.7690	0.000	1	108.0367	3.376	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){2|C<3>,8|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	108.3700	0.000	1	108.3700	0.000	1	108.7580	0.169	7	108.7580	0.169	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]O){4|C<3>,5|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	108.7020	0.000	1	108.7020	0.000	1	108.7580	0.169	7	108.7580	0.169	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	109.4230	0.000	1	109.0055	0.106	4	108.7580	0.169	7	108.7580	0.169	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	108.9380	0.000	1	109.0055	0.106	4	108.7580	0.169	7	108.7580	0.169	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	108.8305	0.281	2	109.0055	0.106	4	108.7580	0.169	7	108.7580	0.169	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]S)(C[6]C[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]O){1|O<1>,1|S<2>,3|C<3>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]S)(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	108.2120	0.000	1	108.2120	0.000	1	108.7580	0.169	7	108.7580	0.169	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	111.0020	0.000	1	111.0020	0.000	1	111.0020	0.000	1	111.0020	0.000	1	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	110.2810	0.000	1	110.2810	0.000	1	109.7168	0.309	5	109.7168	0.309	5	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,7|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	109.9100	0.000	1	109.9100	0.000	1	109.7168	0.309	5	109.7168	0.309	5	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.9630	0.000	1	109.1415	0.064	2	109.7168	0.309	5	109.7168	0.309	5	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.3200	0.000	1	109.1415	0.064	2	109.7168	0.309	5	109.7168	0.309	5	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	110.1100	0.000	1	110.1100	0.000	1	109.7168	0.309	5	109.7168	0.309	5	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:2:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	106.7490	0.000	1	106.7490	0.000	1	106.7490	0.000	1	109.4700	14.808	2	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:2:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:S[5]-2:C[6a]-3:	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,6]C[4]S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(S[5]C[4,5,6])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[4,5,6]C[4,6]C[4]S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(S[5]C[4,5,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	112.1910	0.000	1	112.1910	0.000	1	112.1910	0.000	1	109.4700	14.808	2	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]C)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]C){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	110.5830	0.000	1	110.5830	0.000	1	109.4592	0.561	4	109.8504	0.478	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	109.0720	0.000	1	109.0850	0.000	2	109.4592	0.561	4	109.8504	0.478	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	109.0980	0.000	1	109.0850	0.000	2	109.4592	0.561	4	109.8504	0.478	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	109.0840	0.000	1	109.0840	0.000	1	109.4592	0.561	4	109.8504	0.478	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	110.5070	0.000	1	110.5070	0.000	1	110.5070	0.000	1	109.8504	0.478	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	109.2880	0.000	1	109.2880	0.000	1	109.2880	0.000	1	109.8504	0.478	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	N[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.4370	0.000	2	110.4370	0.000	2	110.4370	0.000	2	109.8504	0.478	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	110.1480	0.000	1	110.1480	0.000	1	110.1480	0.000	1	109.8504	0.478	9	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[4,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5,6]C[4,5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[4,5,6]C[4,5,6,6]C[4]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5,6]C[4,5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	N[5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[4,5,6]C[4,5,6,6]C[4]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.7280	0.000	1	109.7280	0.000	1	109.7280	0.000	1	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5]C[5,5,6]N[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,5]C[5,5,6]N[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	108.5105	0.070	2	108.5105	0.005	2	109.2190	0.477	5	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	109.5500	0.000	1	109.5500	0.000	1	109.2190	0.477	5	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	109.4460	0.000	1	109.4460	0.000	1	109.2190	0.477	5	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]O)	N[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.0780	0.000	1	110.0780	0.000	1	109.2190	0.477	5	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	109.9590	0.328	5	110.0341	0.873	35	110.0032	0.883	36	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	110.1047	1.077	25	110.0341	0.873	35	110.0032	0.883	36	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,2|C<3>,3|C<4>,6|H<1>}	109.7562	0.468	5	110.0341	0.873	35	110.0032	0.883	36	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	108.9210	0.000	1	108.9210	0.000	1	110.0032	0.883	36	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6]C[5,6,6]C[6]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[6]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.5600	0.000	1	109.5600	0.000	1	109.7005	0.039	2	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O)	N[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6]C[5,6,6]C[6]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[6]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	109.8410	0.000	1	109.8410	0.000	1	109.7005	0.039	2	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5]C[5,5,6,6]C[5]Cl)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|Cl<1>,3|C<3>,3|H<1>,5|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]Cl)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.6370	0.000	1	109.6370	0.000	1	109.4793	0.271	7	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>,5|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	109.0790	0.000	1	108.9940	0.014	2	109.4793	0.271	7	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){4|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	108.9090	0.000	1	108.9940	0.014	2	109.4793	0.271	7	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.1700	0.000	1	109.5623	0.388	3	109.4793	0.271	7	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.2585	0.472	2	109.5623	0.388	3	109.4793	0.271	7	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.0430	0.000	1	110.0430	0.000	1	109.4793	0.271	7	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,6,6]C[6,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,6,6]C[6,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	110.1800	0.000	1	110.1800	0.000	1	110.1800	0.000	1	109.8437	0.754	52	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	111.9470	0.000	1	111.9470	0.000	1	111.6687	0.064	3	112.5837	1.929	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	111.5295	0.105	2	111.5295	0.011	2	111.6687	0.064	3	112.5837	1.929	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){3|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	112.5837	1.929	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	112.5837	1.929	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Ge[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](N[5,6]Ge[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,6](Ge[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]Ge[5,5,6]C)(C[6a]C[6a]H)	C[5,6a](N[5,6]Ge[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	N[5,6](Ge[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>,5|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]Ge[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	114.5705	0.053	2	114.5705	0.003	2	114.5705	0.003	2	112.5837	1.929	7	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){2|N<3>,4|C<3>,6|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	109.4360	0.000	1	109.4360	0.000	1	109.4360	0.000	1	109.1440	1.357	3	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	3:4:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[4,5,6]CC)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[4,5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	107.8610	0.000	1	108.9980	2.586	2	108.9980	2.586	2	109.1440	1.357	3	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	3:4:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[4,5,6]CC)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,4|C<4>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[4,5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	110.1350	0.000	1	108.9980	2.586	2	108.9980	2.586	2	109.1440	1.357	3	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5,6]C[3x6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,5,6,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6,6]C[5,5,6]C[3x6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	109.7840	0.000	1	109.7840	0.000	1	109.7840	0.000	1	109.9460	0.052	2	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<4>,4|C<4>,6|H<1>}	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	109.9460	0.052	2	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	5:3:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6]-5:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,6](Si[5,6]C[6a]N[5a]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](Si[5,6]C[6a]N[5a]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	110.3000	0.232	2	110.3000	0.054	2	110.2140	0.049	3	110.2140	0.049	3	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	5:3:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6]-5:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,6](Si[5,6]Si[5]O[5]O[6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5,6](Si[5,6]Si[5]O[5]O[6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.0420	0.000	1	110.0420	0.000	1	110.2140	0.049	3	110.2140	0.049	3	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	5:3:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	In[5,5,6,6]-5:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]In[5,5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	N[5,6](In[5,5,6,6]N[5,6]3Cl)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[5,6a](N[5,6]In[5,5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]In[5,5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	N[5,6](In[5,5,6,6]N[5,6]3Cl)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	C[5,6a](N[5,6]In[5,5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	116.1415	0.678	4	116.1415	0.460	4	116.1415	0.460	4	114.0890	10.390	6	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	5:3:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6,6]-5:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){1|C<4>,1|H<1>,9|C<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	109.9840	0.120	2	109.9840	0.014	2	109.9840	0.014	2	114.0890	10.390	6	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	5:3:4:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6,6]-5:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H){10|C<3>,1|H<1>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	115.5740	0.472	2	115.5740	0.223	2	115.5740	0.223	2	115.5740	0.223	2	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	6:3:3:	3:2:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	C[5,6a]-3:S[5]-2:C[6a]-3:	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[5,6a](C[5,6a]N[5,6]C[6a])(S[5]Si[5,6,6])(C[6a]C[6a]H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(S[5]Si[5,6,6])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|O<2>}	116.3440	0.182	3	116.3440	0.033	3	116.3440	0.033	3	116.3440	0.033	3	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	6:3:3:	3:3:2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6]-6:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,6](Si[5,6]C[6a]N[5a]N[5]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	N[5,6](Si[5,6]C[6a]N[5a]N[5]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O){10|C<3>,1|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	111.2700	0.000	1	111.2700	0.000	1	111.2700	0.000	1	111.2700	0.000	1	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	6:3:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,6|C<3>}	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){12|C<3>,1|H<1>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	113.4180	0.000	1	113.4180	0.000	1	113.4955	0.012	2	113.4955	0.012	2	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	6:3:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H){10|C<3>,1|H<1>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,6|C<3>}	113.5730	0.000	1	113.5730	0.000	1	113.4955	0.012	2	113.4955	0.012	2	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	6:3:3:	3:4:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	Nb[5,6]-6:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](N[5,6]C[6,6a]Nb[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	N[5,6](Nb[5,6]N[6]P[5]Cl2N)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(P[5]Nb[5,6]CC)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[6,6a]Nb[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|Cl<1>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](Nb[5,6]N[6]P[5]Cl2N)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|P<4>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(P[5]Nb[5,6]CC)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.6085	0.216	2	119.6085	0.047	2	119.6085	0.047	2	119.6085	0.047	2	110.1600	7.763	269	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5,6a]C[6a]N[5])	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	106.9125	0.033	2	106.9125	0.001	2	106.9125	0.001	2	106.9125	0.001	2	106.9125	0.001	2	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6,6a](C[5,6a]C[6a]N[5])(C[6,6a]C[6a]N[6])(C[5,6]C[5]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]N[5])(C[6,6a]C[6a]N[6])(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	107.7220	0.000	1	107.7220	0.000	1	107.7220	0.000	1	107.7220	0.000	1	108.2624	0.196	13	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]C)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]C){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	108.5155	0.209	2	108.5155	0.044	2	108.5155	0.044	2	108.5155	0.044	2	108.2624	0.196	13	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	107.8575	0.248	2	107.8575	0.062	2	107.8575	0.062	2	107.8575	0.062	2	108.2624	0.196	13	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[3,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[3,5,6]O)(CH3)	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[3,5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	108.4337	0.195	7	108.2624	0.196	13	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[3,5,6]-4:C[6,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[3,5,6]O)(CH3)	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[3,5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[3,5,6]C[3,6]C[3]C[5])(C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]N[5]){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	108.4337	0.195	7	108.2624	0.196	13	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]O)(CH3)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	108.6870	0.246	2	108.6870	0.061	2	108.6870	0.061	2	108.4337	0.195	7	108.2624	0.196	13	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6,6a](C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6,6a](C[5,6]C[5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	108.5793	0.393	3	108.5793	0.154	3	108.5793	0.154	3	108.4337	0.195	7	108.2624	0.196	13	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(COO)	C[5,6,6a](C[6,6a]C[3,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[6,6a]C[3,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]H){2|C<4>,3|C<3>,6|H<1>}	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	108.2624	0.196	13	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])(CH3)	C[5,6a,6a](C[5,6a]C[6a]Se[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]Se[5]C){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])(CH3){1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Se[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	107.3961	2.922	19	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H){1|H<1>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|O<1>,3|C<3>,4|H<1>}	105.8460	0.000	1	105.8460	0.000	1	106.2847	0.153	3	106.2847	0.153	3	107.3961	2.922	19	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H){1|H<1>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|O<1>,3|C<3>,4|H<1>}	106.5040	0.132	2	106.5040	0.017	2	106.2847	0.153	3	106.2847	0.153	3	107.3961	2.922	19	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|I<1>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	106.8860	0.000	1	106.3230	0.193	4	106.3230	0.193	4	106.3230	0.193	4	107.3961	2.922	19	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|Cl<1>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,4|C<3>}	105.8900	0.000	1	106.3230	0.193	4	106.3230	0.193	4	106.3230	0.193	4	107.3961	2.922	19	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]C[5])(C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]N[5]){1|O<1>,2|H<1>,4|C<3>}	106.2580	0.259	2	106.3230	0.193	4	106.3230	0.193	4	106.3230	0.193	4	107.3961	2.922	19	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|H<1>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	107.2190	0.000	1	107.2190	0.000	1	107.5381	0.478	10	107.5381	0.478	10	107.3961	2.922	19	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	107.1830	0.000	1	108.0780	0.691	3	107.5381	0.478	10	107.5381	0.478	10	107.3961	2.922	19	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	108.5255	0.425	2	108.0780	0.691	3	107.5381	0.478	10	107.5381	0.478	10	107.3961	2.922	19	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	106.1740	0.000	1	106.1740	0.000	1	107.5381	0.478	10	107.5381	0.478	10	107.3961	2.922	19	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|H<1>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	107.7570	0.000	1	107.5957	0.013	4	107.5381	0.478	10	107.5381	0.478	10	107.3961	2.922	19	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|H<1>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	107.5420	0.053	3	107.5957	0.013	4	107.5381	0.478	10	107.5381	0.478	10	107.3961	2.922	19	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]N)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]N)(N[5]C[5]C){1|Cl<1>,1|N<2>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|N<3>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a]N[6a])(C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	107.3710	0.000	1	107.3710	0.000	1	107.5381	0.478	10	107.5381	0.478	10	107.3961	2.922	19	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(CC[6a]O)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(CC[6a]O){1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){4|H<1>,5|C<3>}	107.3670	0.000	1	107.3670	0.000	1	107.3670	0.000	1	107.3670	0.000	1	107.3961	2.922	19	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	106.7171	0.841	34	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Zn<4>,1|N<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Zn<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Zn){1|C<3>,2|H<1>}	106.9710	0.536	2	106.9710	0.287	2	106.5256	0.375	31	106.7171	0.841	34	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Co<6>,1|H<1>,1|N<2>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Co<6>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Co){1|C<3>,2|H<1>}	105.7010	0.000	1	105.7010	0.000	1	106.5256	0.375	31	106.7171	0.841	34	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<2>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,2|H<1>}	107.0197	0.123	3	106.7874	0.134	5	106.5256	0.375	31	106.7171	0.841	34	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){2|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,3|H<1>}	106.4390	0.315	2	106.7874	0.134	5	106.5256	0.375	31	106.7171	0.841	34	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<2>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H){2|H<1>,3|C<3>}	106.6960	0.000	1	106.6960	0.000	1	106.5256	0.375	31	106.7171	0.841	34	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,3|H<1>}	106.0742	0.372	5	106.0742	0.138	5	106.5256	0.375	31	106.7171	0.841	34	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<3>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,3|H<1>}	107.0324	0.147	5	106.8576	0.123	12	106.5256	0.375	31	106.7171	0.841	34	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|O<1>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,3|H<1>}	106.7327	0.410	7	106.8576	0.123	12	106.5256	0.375	31	106.7171	0.841	34	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Ag)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Ag<4>,1|N<2>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Ag<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Ag){1|C<3>,2|H<1>}	105.4270	0.000	1	105.4270	0.000	1	106.5256	0.375	31	106.7171	0.841	34	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Cu<4>,1|N<2>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Cu<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Cu){1|C<3>,2|H<1>}	105.5960	0.000	1	105.6655	0.010	2	106.5256	0.375	31	106.7171	0.841	34	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Cu<4>,1|N<2>,1|S<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Cu<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Cu){1|C<3>,2|H<1>}	105.7350	0.000	1	105.6655	0.010	2	106.5256	0.375	31	106.7171	0.841	34	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<3>,1|S<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H){1|C<3>,3|H<1>}	107.2790	0.000	1	107.2790	0.000	1	106.5256	0.375	31	106.7171	0.841	34	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Ru<9>,1|H<1>,1|S<2>,2|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Ru<9>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Ru){1|C<3>,2|H<1>}	105.3200	0.000	1	105.3200	0.000	1	106.5256	0.375	31	106.7171	0.841	34	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]Os)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H){1|Os<9>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]Os)(H){3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Br<1>,1|Os<9>,1|C<3>,1|H<1>,2|N<3>}	107.9630	0.000	1	107.9630	0.000	1	107.9165	0.004	2	106.7171	0.841	34	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]Ru)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H){1|Ru<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]Ru)(H){3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Ru<6>,1|C<3>,2|H<1>,2|N<3>}	107.8700	0.000	1	107.8700	0.000	1	107.9165	0.004	2	106.7171	0.841	34	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]N[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]N[6a]N){1|H<1>,1|O<1>,3|C<3>}	109.6670	0.000	1	109.6670	0.000	1	109.6670	0.000	1	109.6670	0.000	1	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(CCHH){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	111.7800	0.000	1	111.7800	0.000	1	111.2207	0.243	3	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(CCHH){3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.9410	0.126	2	110.9410	0.016	2	111.2207	0.243	3	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCCH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cl<1>,1|Pt<4>,1|H<1>,1|N<2>,1|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCCH){1|Pt<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt){1|C<3>,1|C<4>,1|H<1>}	107.1265	0.043	2	107.1265	0.002	2	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	107.3310	0.000	1	107.3310	0.000	1	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Co<6>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Co<6>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,1|H<1>}	105.3280	0.000	1	105.3280	0.000	1	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cu<5>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Cu<5>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,1|H<1>}	105.9220	0.277	2	105.9220	0.077	2	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	106.9480	0.600	4	106.7615	0.336	8	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	106.5750	0.576	4	106.7615	0.336	8	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Os<9>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Os<9>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Os){1|C<3>,1|C<4>,2|H<1>}	106.5480	0.000	1	106.5480	0.000	1	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Pt<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	104.3473	1.837	4	104.3473	3.375	4	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Re<6>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Re<6>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Re){1|C<3>,1|C<4>,2|H<1>}	105.7245	0.175	2	105.7245	0.031	2	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Rh<5>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Rh<5>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Rh){1|C<3>,1|C<4>,2|H<1>}	106.6210	0.000	1	106.6210	0.000	1	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Ru<6>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	105.8120	0.000	1	106.1325	0.205	2	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<9>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	106.4530	0.000	1	106.1325	0.205	2	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Zn<4>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Zn<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn){1|C<3>,1|C<4>,2|H<1>}	106.2160	0.000	1	105.8335	0.293	2	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Zn<4>,1|H<1>,1|O<2>,2|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CCHH){1|Zn<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Zn){1|C<3>,1|C<4>,1|H<1>}	105.4510	0.000	1	105.8335	0.293	2	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a]N[6a])(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<6>,1|C<3>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Pt<6>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a]N[6a])(N[5]C[5]Pt){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	105.8840	0.000	1	105.8840	0.000	1	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]N[6a])(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Cl<1>,1|Ir<6>,1|C<3>,1|H<1>,1|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ir<6>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]N[6a])(N[5]C[5]Ir){1|C<4>,1|H<1>,3|C<3>}	106.7780	0.461	2	106.7780	0.213	2	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ir<8>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ir){1|C<3>,1|C<4>,1|H<1>}	106.0430	0.000	1	106.0430	0.000	1	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Os<9>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Os<9>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Os){1|C<3>,1|C<4>,1|H<1>}	106.9220	0.000	1	106.9220	0.000	1	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Pt<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt){1|C<3>,1|C<4>,1|H<1>}	106.4840	0.000	1	106.4840	0.000	1	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ru<6>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ru){1|C<3>,1|C<4>,1|H<1>}	107.2020	0.000	1	107.2020	0.000	1	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	106.1260	0.694	2	106.2603	0.295	3	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	106.5290	0.000	1	106.2603	0.295	3	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	107.3440	0.000	1	107.3440	0.000	1	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Pt<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	106.5264	0.623	5	106.5959	0.376	10	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Pt<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	106.6654	0.668	5	106.5959	0.376	10	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ru<6>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	106.6790	0.000	1	106.6790	0.000	1	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	106.6045	0.504	2	106.6045	0.254	2	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CHHO){1|Pt<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	100.5330	0.000	1	100.5330	0.000	1	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ir)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ir)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|C<4>}	106.9820	0.000	1	106.9820	0.000	1	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ru)(CCHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Ru)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	106.7360	0.000	1	106.7360	0.000	1	106.2472	1.490	53	106.5136	2.694	56	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	4:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[4,5]O)(CC3)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[4,5]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.3750	0.000	1	110.3750	0.000	1	110.3750	0.000	1	109.7643	0.710	3	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	4:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6]O)(CH3){2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	110.1150	0.000	1	110.1150	0.000	1	110.1150	0.000	1	109.7643	0.710	3	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:3:4:	4:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-3:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C[6])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]O)(C[6]C[6]2H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C[6]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]O)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H){1|N<2>,1|O<1>,2|C<4>,4|C<3>}	108.8030	0.000	1	108.8030	0.000	1	108.8030	0.000	1	109.7643	0.710	3	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt){1|C<3>,1|C<4>,1|H<1>}	111.6160	0.000	1	111.6160	0.000	1	106.5110	3.370	14	106.5110	3.370	14	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Rh<8>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Rh<8>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Rh){1|C<3>,1|C<4>,1|H<1>}	106.0565	0.098	2	106.0565	0.010	2	106.5110	3.370	14	106.5110	3.370	14	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pd){1|C<3>,1|C<4>,2|H<1>}	106.8465	0.267	2	106.8465	0.071	2	106.5110	3.370	14	106.5110	3.370	14	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	105.4840	0.000	1	107.0840	1.920	3	106.5110	3.370	14	106.5110	3.370	14	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	107.8840	0.000	2	107.0840	1.920	3	106.5110	3.370	14	106.5110	3.370	14	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Co<6>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]Co){1|C<3>,1|C<4>,1|H<1>}	104.7745	0.166	4	104.7745	0.027	4	106.5110	3.370	14	106.5110	3.370	14	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]Pt)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]Pt){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	106.7110	0.000	1	106.7110	0.000	1	106.5110	3.370	14	106.5110	3.370	14	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]S)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,1|S<1>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]S){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	106.6710	0.000	1	106.6710	0.000	1	106.5110	3.370	14	106.5110	3.370	14	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	110.1663	0.294	3	109.7674	0.162	27	109.7726	0.153	29	109.8328	0.175	32	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	109.7175	0.390	24	109.7674	0.162	27	109.7726	0.153	29	109.8328	0.175	32	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[5]O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[5]O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	110.0140	0.000	1	110.0140	0.000	1	109.7726	0.153	29	109.8328	0.175	32	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6]O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6]O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	109.6730	0.000	1	109.6730	0.000	1	109.7726	0.153	29	109.8328	0.175	32	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	110.5540	0.000	1	110.4147	0.015	3	110.4147	0.015	3	109.8328	0.175	32	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	110.3480	0.000	1	110.4147	0.015	3	110.4147	0.015	3	109.8328	0.175	32	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	110.3420	0.000	1	110.4147	0.015	3	110.4147	0.015	3	109.8328	0.175	32	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:4:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:2:	3:3:3:	3:2:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a])	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C)	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	107.7410	0.000	1	107.9090	0.260	5	107.9090	0.260	5	107.9090	0.260	5	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:2:	3:3:3:	3:2:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a])	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C)	C[5,6a](C[5,6a]N[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|O<1>,3|C<3>}	107.9510	0.578	4	107.9090	0.260	5	107.9090	0.260	5	107.9090	0.260	5	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(S[5]C[5]){1|C<4>,1|S<1>,2|C<3>}	113.4870	0.000	1	113.4870	0.000	1	113.1148	0.105	4	113.1148	0.105	4	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,1|S<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5]){1|S<1>,3|C<3>}	112.9400	0.000	1	112.9907	0.065	3	113.1148	0.105	4	113.1148	0.105	4	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|O<1>,1|S<1>,2|C<3>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(S[5]C[5]){1|S<1>,3|C<3>}	113.0160	0.356	2	112.9907	0.065	3	113.1148	0.105	4	113.1148	0.105	4	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:2:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a])	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a]){4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(C[5]C[5]HH){2|H<1>,5|C<3>}	109.5850	0.000	1	109.5850	0.000	1	109.5850	0.000	1	109.5850	0.000	1	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:2:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]N[6a])(C[5,5]N[5,5]C[5]H)(CCH)	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5,5]N[5,5]C[5]H)(CCH){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.2750	0.647	4	108.2750	0.418	4	108.2750	0.418	4	108.2750	0.418	4	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6,6a])(O[5]N[5])(O)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5])	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]O){1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(O[5]N[5])(O){3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	107.2845	0.985	2	107.2845	0.970	2	107.2845	0.970	2	106.9770	0.129	17	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]O[5]O){2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5]){1|H<1>,1|O<1>,2|C<3>}	106.4170	0.000	1	106.4170	0.000	1	106.9360	0.063	15	106.9770	0.129	17	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]O){1|Br<1>,1|C<3>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|Br<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	106.8035	0.315	4	106.8035	0.099	4	106.9360	0.063	15	106.9770	0.129	17	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|Cl<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	107.0285	0.072	4	107.0285	0.005	4	106.9360	0.063	15	106.9770	0.129	17	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]){1|C<3>,1|H<1>,1|I<1>,1|O<1>}	107.1115	0.151	2	107.0380	0.028	3	106.9360	0.063	15	106.9770	0.129	17	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]){1|C<3>,1|O<1>,2|H<1>}	106.8910	0.000	1	107.0380	0.028	3	106.9360	0.063	15	106.9770	0.129	17	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<2>,1|C<3>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5]){1|C<3>,1|O<1>,2|H<1>}	107.0603	0.167	3	107.0603	0.028	3	106.9360	0.063	15	106.9770	0.129	17	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|H<1>}	106.0510	0.270	2	106.0510	0.073	2	106.0510	0.073	2	106.3720	10.126	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,3|H<1>}	113.1128	0.442	8	113.1128	0.196	8	113.1128	0.196	8	106.3720	10.126	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,3|H<1>}	104.8270	0.000	1	104.8270	0.000	1	104.6275	0.285	49	106.3720	10.126	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){1|C<3>,3|H<1>}	104.0500	0.431	4	104.1314	0.172	5	104.6275	0.285	49	106.3720	10.126	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){1|C<3>,3|H<1>}	104.4570	0.000	1	104.1314	0.172	5	104.6275	0.285	49	106.3720	10.126	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,3|H<1>}	104.7680	0.511	35	104.7680	0.261	35	104.6275	0.285	49	106.3720	10.126	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Ni<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni){1|C<3>,3|H<1>}	104.4380	0.187	3	104.4380	0.035	3	104.6275	0.285	49	106.3720	10.126	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,3|H<1>}	105.1030	0.000	1	105.1030	0.000	1	104.6275	0.285	49	106.3720	10.126	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Zn<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn){1|C<3>,3|H<1>}	103.9915	0.197	4	103.9915	0.039	4	104.6275	0.285	49	106.3720	10.126	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	105.1610	0.241	3	105.5014	0.152	8	105.5014	0.152	8	106.3720	10.126	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	105.7056	0.313	5	105.5014	0.152	8	105.5014	0.152	8	106.3720	10.126	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5])(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|C<3>,3|H<1>}	109.6125	0.121	4	109.6125	0.015	4	109.6125	0.015	4	106.3720	10.126	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H){2|C<3>,2|H<1>}	112.8540	0.000	1	112.8540	0.000	1	112.9228	0.193	4	106.3720	10.126	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]H){2|H<1>,4|C<3>}	112.4560	0.000	1	112.4560	0.000	1	112.9228	0.193	4	106.3720	10.126	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){1|C<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]H){1|C<2>,1|C<3>,2|H<1>}	113.5170	0.000	1	113.5170	0.000	1	112.9228	0.193	4	106.3720	10.126	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]H){1|C<2>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H){1|C<3>,3|H<1>}	112.8640	0.000	1	112.8640	0.000	1	112.9228	0.193	4	106.3720	10.126	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(OFe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(OFe){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,1|O<2>,2|H<1>}	104.3960	0.000	1	104.3960	0.000	1	104.3960	0.000	1	104.3960	0.000	1	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){2|C<3>,2|H<1>}	105.3503	0.268	4	105.3503	0.072	4	105.3222	0.058	5	105.3222	0.058	5	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CN[6]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CN[6]N){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){2|C<3>,2|H<1>}	105.2100	0.000	1	105.2100	0.000	1	105.3222	0.058	5	105.3222	0.058	5	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-2:B-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(BC[6a]3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]B){1|Br<1>,1|C<3>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(BC[6a]3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5]){1|B<4>,1|C<3>,2|H<1>}	107.2270	0.000	1	107.2270	0.000	1	107.2270	0.000	1	111.6364	1.767	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|C<4>,2|H<1>}	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	111.6364	1.767	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:B-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BBr3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BBr3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|B<4>,1|C<3>,2|H<1>}	112.6860	0.000	1	112.6860	0.000	1	113.0577	0.342	4	111.6364	1.767	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:B-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BC[6a]3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BC[6a]3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|B<4>,1|C<3>,2|H<1>}	113.9260	0.000	1	113.9260	0.000	1	113.0577	0.342	4	111.6364	1.767	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:B-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BCl3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BCl3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|B<4>,1|C<3>,2|H<1>}	112.7360	0.000	1	112.7360	0.000	1	113.0577	0.342	4	111.6364	1.767	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:B-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BF3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BF3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|B<4>,1|C<3>,2|H<1>}	112.8830	0.000	1	112.8830	0.000	1	113.0577	0.342	4	111.6364	1.767	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,2|H<1>}	111.5290	0.000	1	111.5290	0.000	1	111.7045	0.103	15	111.6364	1.767	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCCH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,2|H<1>}	111.6730	0.255	2	111.6730	0.065	2	111.7045	0.103	15	111.6364	1.767	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,2|H<1>}	111.5995	0.445	6	111.5995	0.198	6	111.7045	0.103	15	111.6364	1.767	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CC[6a]HH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,2|H<1>}	111.8247	0.260	3	111.8247	0.068	3	111.7045	0.103	15	111.6364	1.767	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,2|H<1>}	111.8740	0.095	3	111.8740	0.009	3	111.7045	0.103	15	111.6364	1.767	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	105.5670	0.000	1	105.5670	0.000	1	105.8655	0.178	2	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	106.1640	0.000	1	106.1640	0.000	1	105.8655	0.178	2	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	113.1917	0.472	4	113.1917	0.223	4	113.0259	0.177	18	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]H){1|C<3>,1|C<4>,2|H<1>}	112.7082	0.241	8	112.7082	0.058	8	113.0259	0.177	18	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,2|H<1>}	113.3620	0.372	4	113.3620	0.138	4	113.0259	0.177	18	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,2|H<1>}	113.2925	0.088	2	113.2925	0.008	2	113.0259	0.177	18	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(BH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]B){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(BH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|B<4>,1|C<3>,2|H<1>}	106.8670	0.000	1	106.8670	0.000	1	106.8670	0.000	1	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	105.1123	0.963	3	105.1123	0.928	3	104.7721	0.485	23	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){1|C<3>,1|C<4>,2|H<1>}	104.2270	0.000	1	104.2270	0.000	1	104.7721	0.485	23	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Cu<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu){1|C<3>,1|C<4>,2|H<1>}	104.2100	0.513	2	104.2100	0.264	2	104.7721	0.485	23	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni){1|C<3>,1|C<4>,2|H<1>}	104.4980	0.000	1	104.4980	0.000	1	104.7721	0.485	23	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Zn<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCHH){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn){1|C<3>,1|C<4>,2|H<1>}	104.2653	0.435	4	104.2653	0.189	4	104.7721	0.485	23	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|B<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]B){1|C<3>,1|C<4>,2|H<1>}	104.3020	0.000	1	104.3020	0.000	1	104.7721	0.485	23	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	105.1572	0.698	9	105.1572	0.488	9	104.7721	0.485	23	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Cu<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu){1|C<3>,1|C<4>,2|H<1>}	104.4870	0.000	1	104.4870	0.000	1	104.7721	0.485	23	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CHHO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,1|C<4>,2|H<1>}	105.0110	0.000	1	105.0110	0.000	1	104.7721	0.485	23	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|C<4>,2|H<1>}	109.5805	0.719	2	109.5805	0.517	2	109.5805	0.517	2	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Se[5]-2:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BCl3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|B<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])(BCl3){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|B<4>,1|C<3>,2|H<1>}	113.0360	0.000	1	113.0360	0.000	1	113.0360	0.000	1	108.4047	16.125	47	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:2:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,2|H<1>}	111.7260	0.000	1	111.7260	0.000	1	111.7260	0.000	1	111.7260	0.000	1	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<2>,1|N<3>,3|H<1>}	106.3650	0.990	3	106.8494	0.950	5	107.2269	0.349	33	107.2269	0.349	33	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){2|N<3>,3|H<1>}	107.5760	0.279	2	106.8494	0.950	5	107.2269	0.349	33	107.2269	0.349	33	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H){1|C<4>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ir<8>,1|N<2>,1|N<3>,2|H<1>}	106.3110	0.000	1	106.3110	0.000	1	107.2269	0.349	33	107.2269	0.349	33	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<2>,1|N<3>,3|H<1>}	106.6560	0.000	1	106.6560	0.000	1	107.2269	0.349	33	107.2269	0.349	33	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>}	107.2464	0.460	5	107.5332	0.293	11	107.2269	0.349	33	107.2269	0.349	33	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|O<1>,2|H<1>,2|N<3>}	107.7722	0.515	6	107.5332	0.293	11	107.2269	0.349	33	107.2269	0.349	33	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<3>,1|O<1>,3|H<1>}	107.0852	0.114	5	107.2233	0.044	12	107.2269	0.349	33	107.2269	0.349	33	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|O<1>,2|H<1>,2|N<3>}	107.3219	0.214	7	107.2233	0.044	12	107.2269	0.349	33	107.2269	0.349	33	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|Ru<6>,1|H<1>,1|O<1>,2|N<3>}	107.0300	0.000	1	107.0300	0.000	1	107.2269	0.349	33	107.2269	0.349	33	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,1|S<1>,2|H<1>,2|N<3>}	108.0450	0.000	1	108.0450	0.000	1	107.2269	0.349	33	107.2269	0.349	33	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<2>,1|N<3>,1|S<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<3>,1|S<1>,3|H<1>}	106.6540	0.000	1	106.6540	0.000	1	107.2269	0.349	33	107.2269	0.349	33	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:N[6a]-2:	C[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(N[6a]C[6a])	C[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Br<1>,3|C<3>}	N[5](C[5,6]C[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	110.0400	0.000	1	110.0400	0.000	1	110.0400	0.000	1	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<1>,3|H<1>}	107.0150	0.000	1	107.0150	0.000	1	107.0150	0.000	1	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Ir)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Ir)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	105.3795	0.562	2	105.3795	0.316	2	105.6088	0.585	11	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|H<1>,1|S<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	104.7130	0.000	1	104.7130	0.000	1	105.6088	0.585	11	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	106.1113	0.768	3	106.1113	0.589	3	105.6088	0.585	11	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Pd)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pd<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Pd)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,1|C<3>,3|H<1>}	104.6790	0.000	1	104.6790	0.000	1	105.6088	0.585	11	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Re)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Re)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,1|C<3>,3|H<1>}	105.0860	0.000	1	105.0860	0.000	1	105.6088	0.585	11	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,1|S<1>,2|H<1>}	105.3400	0.000	1	106.0420	0.495	3	105.6088	0.585	11	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<1>,3|H<1>}	106.0390	0.000	1	106.0420	0.495	3	105.6088	0.585	11	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	106.7470	0.000	1	106.0420	0.495	3	105.6088	0.585	11	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){2|C<3>,3|H<1>}	112.0450	0.178	2	111.9447	0.046	3	111.9447	0.046	3	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){2|C<3>,3|H<1>}	111.7440	0.000	1	111.9447	0.046	3	111.9447	0.046	3	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,3|H<1>}	112.0390	0.000	1	112.0390	0.000	1	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,3|H<1>}	111.8310	0.000	1	111.8310	0.000	1	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	112.3525	0.056	2	112.8896	3.582	7	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,3|H<1>}	113.1044	2.274	5	112.8896	3.582	7	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,3|H<1>}	111.6055	0.250	2	111.6055	0.062	2	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,4|H<1>}	110.4478	0.353	5	110.4478	0.125	5	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	111.6780	0.000	1	112.1454	0.544	38	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	112.9260	0.000	1	112.1454	0.544	38	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	112.8500	0.000	1	112.1454	0.544	38	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	111.8320	0.000	1	112.1454	0.544	38	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	112.2705	0.806	6	112.1454	0.544	38	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	112.1230	0.000	1	112.1454	0.544	38	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	112.1036	0.780	26	112.1454	0.544	38	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,2|H<1>,2|N<3>}	111.7990	0.000	1	112.1454	0.544	38	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]P)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|P<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]P)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|P<2>,3|H<1>}	113.0110	0.000	1	113.0110	0.000	1	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|S<1>,3|H<1>}	111.4740	0.636	2	111.8331	0.172	8	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,1|S<1>,2|H<1>}	111.7560	0.000	1	111.8331	0.172	8	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|S<1>,3|H<1>}	111.9900	0.000	1	111.8331	0.172	8	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	111.9928	0.370	4	111.8331	0.172	8	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<1>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Se<1>,1|C<3>,3|H<1>}	111.9070	0.000	1	111.9070	0.000	1	112.0415	1.004	64	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Co)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|Co<6>,1|C<3>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<6>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Co)(N[6a]C[6a]){1|N<2>,1|N<3>,3|H<1>}	106.2240	0.266	4	106.2240	0.071	4	106.3704	0.611	8	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Pt<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Pt<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a]){1|O<1>,2|H<1>,2|N<3>}	106.4537	1.387	3	106.4537	1.923	3	106.3704	0.611	8	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Ru)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Ru<9>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ru<9>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Ru)(N[6a]C[6a]){1|N<3>,1|O<1>,3|H<1>}	106.7060	0.000	1	106.7060	0.000	1	106.3704	0.611	8	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Co<6>,1|C<3>,3|H<1>}	105.0640	0.000	1	105.0640	0.000	1	105.0640	0.000	1	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|Cl<1>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	105.4780	0.000	1	105.9995	0.544	2	105.9995	0.544	2	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	106.5210	0.000	1	105.9995	0.544	2	105.9995	0.544	2	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]C[5]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]C[5]H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(H){3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|H<1>,3|C<3>}	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	105.7820	0.000	1	105.7820	0.000	1	105.7820	0.000	1	110.4465	8.046	93	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	107.5125	2.362	2	107.5125	5.581	2	107.5125	5.581	2	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]C[5]H){1|N<2>,2|H<1>,4|C<3>}	107.3420	0.000	1	107.3420	0.000	1	107.3420	0.000	1	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	107.4240	0.000	1	106.8285	0.173	4	106.8285	0.173	4	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	106.6300	0.151	3	106.8285	0.173	4	106.8285	0.173	4	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	107.3400	0.000	1	107.3400	0.000	1	107.3400	0.000	1	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(H)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|B<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(H){1|H<1>,6|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	106.4340	0.000	1	106.4340	0.000	1	106.4340	0.000	1	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|B<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(H){1|B<4>,1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	106.7420	0.000	1	106.7420	0.000	1	107.6833	1.881	3	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|F<1>,3|H<1>}	107.0510	0.000	1	107.0510	0.000	1	107.6833	1.881	3	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	109.2570	0.000	1	109.2570	0.000	1	107.6833	1.881	3	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:As-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]As)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(As)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]As){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(As){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|As<1>,1|C<3>,1|C<4>,2|H<1>}	105.7935	0.825	2	105.7935	0.681	2	105.7935	0.681	2	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:Cl-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cl)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cl){1|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(Cl){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,3|H<1>}	104.0600	0.000	1	104.0600	0.000	1	104.0600	0.000	1	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:Ge-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(Ge)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(Ge){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<1>,1|C<3>,1|C<4>,2|H<1>}	107.0940	0.000	1	107.0940	0.000	1	107.0940	0.000	1	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	109.2593	0.650	6	109.2593	0.422	6	109.2593	0.422	6	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	110.8130	0.000	1	110.8130	0.000	1	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.6150	0.549	2	110.7088	0.165	6	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.7558	0.407	4	110.7088	0.165	6	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(N[5]C[5]H){1|O<1>,2|N<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O){1|H<1>,5|C<3>}	111.3140	0.000	1	111.3140	0.000	1	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	111.3180	0.000	1	111.3180	0.000	1	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	112.0445	1.653	2	111.9363	1.400	3	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	111.7200	0.000	1	111.9363	1.400	3	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|F<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	112.0601	0.188	7	112.0601	0.035	7	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	110.8235	0.134	2	110.3103	0.156	11	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,2|C<3>,2|H<1>}	110.0280	0.000	1	110.3103	0.156	11	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	110.6980	0.000	1	110.3103	0.156	11	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,2|C<3>,2|H<1>}	110.0580	0.000	1	110.3103	0.156	11	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,2|C<3>,2|H<1>}	110.3440	0.000	1	110.3103	0.156	11	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,2|C<3>,2|H<1>}	110.4570	0.000	1	110.3103	0.156	11	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|I<1>,2|C<3>,2|H<1>}	110.4900	0.000	1	110.3103	0.156	11	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	109.9180	0.387	2	110.3103	0.156	11	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	109.8550	0.000	1	110.3103	0.156	11	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	110.0100	0.000	1	110.2140	0.066	5	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	110.1410	0.000	1	110.2140	0.066	5	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	110.3063	0.309	3	110.2140	0.066	5	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	110.4310	0.000	1	110.4310	0.000	1	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	109.3330	0.000	1	109.3330	0.000	1	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	110.3905	0.146	2	110.6083	0.153	3	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	111.0440	0.000	1	110.6083	0.153	3	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|F<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	109.3880	0.000	1	109.3880	0.000	1	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	109.0790	0.000	1	109.2553	0.326	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|S<6>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	107.6990	0.000	1	109.2553	0.326	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	109.4997	0.283	3	109.2553	0.326	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.1040	0.000	1	109.2553	0.326	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	108.7760	0.481	2	109.2553	0.326	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	110.2410	0.000	1	109.2553	0.326	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<6>,2|H<1>}	109.1765	0.227	2	109.2553	0.326	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	109.2670	0.562	56	109.2553	0.326	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	109.5685	0.176	2	109.2553	0.326	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.6280	0.000	1	109.6280	0.000	1	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	109.2993	0.214	3	109.5820	0.269	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.5860	0.175	2	109.5820	0.269	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	109.2729	0.375	9	109.5820	0.269	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	109.4256	0.268	5	109.5820	0.269	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	109.4737	0.380	3	109.5820	0.269	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	109.6441	0.560	37	109.5820	0.269	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	109.4532	0.149	5	109.5820	0.269	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	110.1964	0.652	5	109.5820	0.269	69	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	110.8640	0.119	2	110.7034	0.131	18	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	111.1330	0.000	1	110.7034	0.131	18	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|F<1>,1|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	110.5470	0.000	1	110.7034	0.131	18	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	110.3580	0.000	1	110.7034	0.131	18	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	110.6140	0.000	1	110.7034	0.131	18	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	110.8270	0.363	5	110.7034	0.131	18	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	111.0810	0.000	1	110.7034	0.131	18	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	110.7670	0.171	2	110.7034	0.131	18	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	109.7320	0.000	1	110.7034	0.131	18	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	110.5540	0.232	2	110.7034	0.131	18	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	110.6910	0.000	1	110.7034	0.131	18	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]I)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]I)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	110.8750	0.000	1	110.8750	0.000	1	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	110.0403	0.219	3	110.0403	0.048	3	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|I<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	110.1260	0.000	1	110.1260	0.000	1	109.8353	0.767	203	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	105.9220	0.000	1	105.9220	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	104.5060	0.499	2	104.5060	0.249	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Cr)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|Cr<6>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cr<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Cr){1|C<4>,2|C<3>,2|H<1>}	105.8370	0.000	1	105.8370	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){2|H<1>,5|C<3>}	106.2680	1.441	2	106.2680	2.077	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Cd<5>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){2|C<3>,3|H<1>}	105.5140	0.011	2	105.5140	0.000	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Co<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	105.8440	0.286	2	105.8181	0.053	12	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Co<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	105.8129	0.234	10	105.8181	0.053	12	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Eu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Eu<13>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Eu<13>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Eu){2|C<3>,3|H<1>}	104.0910	0.913	4	104.0910	0.834	4	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,3|H<1>}	105.4295	1.018	2	105.4295	1.035	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Gd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Gd<15>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Gd<15>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Gd){2|C<3>,3|H<1>}	105.0370	0.000	1	105.0370	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	106.2035	0.275	4	106.2423	0.051	6	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	106.3200	0.109	2	106.2423	0.051	6	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ir<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,2|C<3>,2|H<1>}	106.8880	0.590	2	106.0902	0.851	6	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<8>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ir<8>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,3|H<1>}	105.6912	0.816	4	106.0902	0.851	6	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Mn<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,3|H<1>}	105.8275	0.165	2	105.8275	0.027	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	105.7885	0.152	2	105.9144	0.032	5	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ni<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	105.9983	0.161	3	105.9144	0.032	5	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){2|C<3>,3|H<1>}	106.5230	0.000	1	106.3195	0.083	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<9>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Os<9>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){2|C<3>,3|H<1>}	106.1160	0.000	1	106.3195	0.083	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,3|H<1>}	105.8645	0.135	2	106.4123	0.909	3	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ru<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,3|H<1>}	107.5080	0.000	1	106.4123	0.909	3	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Tb)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Tb<15>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Tb<15>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Tb){2|C<3>,3|H<1>}	105.6080	0.000	1	105.6080	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Zn<4>,1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,3|H<1>}	105.8690	0.000	1	105.8690	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	107.0130	0.000	1	107.0130	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Cu<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	106.0030	0.000	1	106.0030	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	106.6245	0.296	2	106.3994	0.078	10	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	106.3431	0.263	8	106.3994	0.078	10	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<9>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Os<9>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){2|C<3>,3|H<1>}	106.7480	0.000	1	106.7480	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,3|H<1>}	106.1083	0.242	3	106.1377	0.043	4	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,3|H<1>}	106.2260	0.000	1	106.1377	0.043	4	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Zn<5>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,3|H<1>}	105.9660	0.000	1	105.9660	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	105.9755	0.125	2	106.1583	0.108	3	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	106.5240	0.000	1	106.1583	0.108	3	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cd<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){2|C<3>,3|H<1>}	105.7390	0.000	1	105.3906	0.534	5	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cd<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){2|C<3>,3|H<1>}	105.3035	0.813	4	105.3906	0.534	5	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Co<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	105.7620	0.000	1	106.1333	1.250	10	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Co<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	105.9273	0.080	3	106.1333	1.250	10	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Co<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	106.2982	1.471	6	106.1333	1.250	10	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cr<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr){2|C<3>,3|H<1>}	106.1345	0.125	2	106.1345	0.016	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	105.6040	0.184	4	105.7540	0.078	6	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cu<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	106.0540	0.129	2	105.7540	0.078	6	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Fe<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,3|H<1>}	105.6880	0.000	1	106.1540	0.204	6	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,3|H<1>}	106.2472	0.436	5	106.1540	0.204	6	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	106.6075	0.066	2	106.1931	0.803	20	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	106.1471	0.935	18	106.1931	0.803	20	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,3|H<1>}	105.8320	0.185	2	106.1213	0.268	3	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<8>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ir<8>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,3|H<1>}	106.7000	0.000	1	106.1213	0.268	3	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Mn<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,3|H<1>}	105.7200	0.000	1	106.0812	1.402	8	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Mn<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,3|H<1>}	106.2630	1.338	6	106.0812	1.402	8	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<8>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Mn<8>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,3|H<1>}	105.3520	0.000	1	106.0812	1.402	8	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	106.3117	1.030	11	106.3476	1.494	15	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<7>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ni<7>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	106.4463	1.848	4	106.3476	1.494	15	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){2|C<3>,3|H<1>}	105.9260	0.000	1	105.9260	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,3|H<1>}	105.9222	0.502	4	106.0958	0.230	6	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ru<9>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,3|H<1>}	106.4430	0.180	2	106.0958	0.230	6	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Zn<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,3|H<1>}	105.7570	0.000	1	105.7407	0.122	10	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,3|H<1>}	106.3280	0.000	1	105.7407	0.122	10	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,3|H<1>}	105.6653	0.317	8	105.7407	0.122	10	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ag<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ag<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){2|C<3>,3|H<1>}	105.9015	0.245	2	105.9015	0.060	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Be)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Be<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Be<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Be){2|C<3>,3|H<1>}	106.1960	0.000	1	106.1960	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	106.5610	0.000	1	106.6563	0.098	7	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	106.6722	0.340	6	106.6563	0.098	7	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cd<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){2|C<3>,3|H<1>}	105.8120	0.000	1	105.3905	0.355	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cd<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){2|C<3>,3|H<1>}	104.9690	0.000	1	105.3905	0.355	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Co<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	105.3626	0.751	8	105.3626	0.564	8	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cu<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	105.8180	0.000	1	105.9349	0.015	8	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cu<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	105.9516	0.124	7	105.9349	0.015	8	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Fe<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,3|H<1>}	105.5750	0.000	1	105.5750	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	106.5331	6.101	4	106.4856	4.551	32	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	106.4788	1.044	28	106.4856	4.551	32	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ir<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,3|H<1>}	105.8812	1.216	4	105.8812	1.480	4	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Mn<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,3|H<1>}	104.2080	0.000	1	104.2080	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mo)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Mo<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mo){2|C<3>,3|H<1>}	107.0940	0.000	1	107.0940	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ni<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	104.5037	0.975	3	104.7055	0.797	4	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ni<5>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	105.3110	0.000	1	104.7055	0.797	4	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pt<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|C<3>,3|H<1>}	106.0859	0.666	9	106.0859	0.444	9	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ru<9>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,3|H<1>}	105.6270	0.000	1	105.6270	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Zn<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,3|H<1>}	105.6189	0.236	10	105.6189	0.056	10	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){2|C<3>,3|H<1>}	106.2930	0.000	1	106.2930	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(H){1|Ru<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|N<3>,3|H<1>}	106.2365	0.563	6	106.2365	0.317	6	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ag<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){1|C<3>,1|C<4>,3|H<1>}	105.6613	0.049	3	105.6613	0.002	3	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,3|H<1>}	107.4050	0.000	1	106.3499	0.311	11	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	106.3025	0.477	2	106.3499	0.311	11	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	106.2124	0.521	7	106.3499	0.311	11	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	106.3520	0.000	1	106.3499	0.311	11	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,1|C<4>,3|H<1>}	104.7515	0.825	2	105.1934	0.289	8	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cd<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,1|C<4>,3|H<1>}	105.1845	0.224	4	105.1934	0.289	8	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cd<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){2|C<3>,3|H<1>}	105.6530	0.612	2	105.1934	0.289	8	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	105.6058	0.318	5	106.0079	0.423	26	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	105.9237	0.869	6	106.0079	0.423	26	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	105.9270	0.312	5	106.0079	0.423	26	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	105.5287	0.157	3	106.0079	0.423	26	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	106.7414	0.583	5	106.0079	0.423	26	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<7>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<7>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	106.3535	0.291	2	106.0079	0.423	26	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cr<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr){1|C<3>,1|C<4>,3|H<1>}	105.4098	0.684	5	105.4098	0.468	5	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<2>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	105.6530	0.604	3	105.6131	0.164	41	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<3>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	105.2078	0.080	4	105.6131	0.164	41	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	105.6470	0.377	8	105.6131	0.164	41	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	106.4220	0.000	1	105.6131	0.164	41	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	105.5791	0.362	18	105.6131	0.164	41	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	105.3180	0.000	1	105.6131	0.164	41	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	106.2200	0.482	2	105.6131	0.164	41	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	105.6420	0.242	4	105.6131	0.164	41	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Eu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Eu<13>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Eu<13>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Eu){1|C<3>,1|C<4>,3|H<1>}	104.4260	0.000	1	104.4260	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Fe<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,3|H<1>}	106.4745	0.296	2	106.0580	0.436	11	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Fe<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|C<4>,3|H<1>}	105.9654	0.694	9	106.0580	0.436	11	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	106.2581	0.536	182	106.2663	0.281	192	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	106.6040	0.000	1	106.2663	0.281	192	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	106.0330	0.000	1	106.2663	0.281	192	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	106.4830	0.462	2	106.2663	0.281	192	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	106.4243	0.452	6	106.2663	0.281	192	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Hg<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<3>,1|C<4>,3|H<1>}	105.6563	0.577	3	105.7518	0.679	5	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Hg<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<3>,2|C<4>,2|H<1>}	104.9000	0.000	1	105.7518	0.679	5	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Hg<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){2|C<3>,3|H<1>}	106.8900	0.000	1	105.7518	0.679	5	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,1|C<4>,3|H<1>}	105.5218	0.420	32	105.5090	0.168	34	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,3|H<1>}	105.3040	0.014	2	105.5090	0.168	34	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mo)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Mo<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mo){1|C<3>,1|C<4>,3|H<1>}	105.6840	0.000	1	105.6840	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|C<4>,3|H<1>}	105.5637	0.363	23	105.5758	0.130	24	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	105.8540	0.000	1	105.5758	0.130	24	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	106.0297	0.145	3	105.8962	0.044	5	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ru<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	105.6960	0.037	2	105.8962	0.044	5	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,3|H<1>}	105.2056	0.539	12	105.2756	0.296	18	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,2|C<4>,2|H<1>}	105.4900	0.000	1	105.2756	0.296	18	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Zn<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,3|H<1>}	105.5560	0.000	1	105.2756	0.296	18	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Zn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,3|H<1>}	105.3618	0.738	4	105.2756	0.296	18	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,1|C<3>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,1|C<3>,3|H<1>}	105.6970	0.000	1	105.6315	0.009	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,1|C<3>,1|O<2>,2|H<1>}	105.5660	0.000	1	105.6315	0.009	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,4|H<1>}	106.5838	0.596	14	106.5838	0.356	14	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Cd<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,4|H<1>}	105.6123	0.535	6	105.5468	0.196	9	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<8>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Cd<8>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,4|H<1>}	105.4157	0.172	3	105.5468	0.196	9	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cl){1|C<3>,4|H<1>}	110.2450	0.000	1	110.2450	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	106.2520	0.000	1	105.5206	0.121	20	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,4|H<1>}	105.3587	0.271	6	105.5206	0.121	20	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<3>,3|H<1>}	105.8255	0.633	2	105.5206	0.121	20	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,4|H<1>}	105.5027	0.279	9	105.5206	0.121	20	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	105.4165	0.042	2	105.5206	0.121	20	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,4|H<1>}	105.5440	0.000	1	105.2520	0.171	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Cu<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	104.9600	0.000	1	105.2520	0.171	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	106.3935	0.218	2	106.2540	0.565	177	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	106.7380	0.000	1	106.2540	0.565	177	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	106.1850	0.000	1	106.2540	0.565	177	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	106.2632	0.764	167	106.2540	0.565	177	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,3|H<1>}	106.1405	0.483	2	106.2540	0.565	177	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	105.2930	0.127	2	106.2540	0.565	177	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	106.2135	0.247	2	106.2540	0.565	177	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,4|H<1>}	105.4910	0.074	3	105.4518	0.010	4	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<8>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Mn<8>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,4|H<1>}	105.3340	0.000	1	105.4518	0.010	4	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ni<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,4|H<1>}	106.0450	0.000	1	105.4434	0.067	11	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|C<4>,3|H<1>}	105.3650	0.272	3	105.4434	0.067	11	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,4|H<1>}	105.4020	0.156	5	105.4434	0.067	11	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	105.3635	0.153	2	105.4434	0.067	11	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Os<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<3>,4|H<1>}	106.0672	0.299	5	106.0468	0.074	6	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<9>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Os<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<3>,4|H<1>}	105.9450	0.000	1	106.0468	0.074	6	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	105.7030	0.000	1	105.8364	0.065	7	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,4|H<1>}	105.9106	0.269	5	105.8364	0.065	7	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ru<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,4|H<1>}	105.5990	0.000	1	105.8364	0.065	7	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,4|H<1>}	105.8923	0.415	3	105.8923	0.172	3	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]Co){1|C<3>,4|H<1>}	104.0605	0.250	2	104.0605	0.062	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Zn<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]Zn){1|C<3>,4|H<1>}	104.6675	0.211	2	104.6675	0.045	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	105.2920	0.000	1	105.9277	0.344	3	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	106.2455	0.286	2	105.9277	0.344	3	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,1|C<3>,3|H<1>}	105.3940	0.000	1	105.3940	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	107.3750	0.000	1	107.1285	0.122	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	106.8820	0.000	1	107.1285	0.122	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Co<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<2>,3|H<1>}	105.1490	0.000	1	105.5940	0.259	3	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Co<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<3>,3|H<1>}	105.8165	0.470	2	105.5940	0.259	3	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|N<3>,3|H<1>}	105.6030	0.000	1	105.6030	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Fe<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|N<3>,3|H<1>}	105.6440	0.000	1	105.6440	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	106.3710	0.000	1	106.5230	0.183	77	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,3|H<1>}	106.1870	0.498	2	106.5230	0.183	77	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	106.7770	0.000	1	106.5230	0.183	77	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	106.6120	0.000	1	106.5230	0.183	77	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	106.5217	0.368	66	106.5230	0.183	77	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|N<3>}	106.2760	0.000	1	106.5230	0.183	77	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	107.6950	0.566	2	106.5230	0.183	77	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	106.5860	0.000	1	106.5230	0.183	77	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	105.7235	0.370	2	106.5230	0.183	77	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<5>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Mn<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,1|N<3>,3|H<1>}	105.8210	0.000	1	105.8210	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Ru<8>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|N<3>,3|H<1>}	105.6780	0.000	1	105.6780	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,3|H<1>}	105.7920	0.346	2	105.7920	0.120	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,3|H<1>}	106.3290	0.000	1	106.3290	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,3|H<1>}	105.5940	0.177	4	105.5940	0.031	4	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,3|H<1>}	105.7543	0.423	10	105.7543	0.179	10	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,3|H<1>}	105.7530	0.492	5	106.0093	0.351	9	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	106.0765	0.217	2	106.0093	0.351	9	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	106.5830	0.894	2	106.0093	0.351	9	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|S<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|S<1>,2|H<1>}	105.6840	0.000	1	105.6840	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,3|H<1>}	105.6835	0.282	2	105.6835	0.080	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,3|H<1>}	107.1040	0.000	1	107.1280	0.001	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,3|H<1>}	107.1520	0.000	1	107.1280	0.001	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|S<2>,3|H<1>}	106.9525	0.493	2	106.9525	0.243	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|S<2>,3|H<1>}	105.6940	0.550	2	105.6940	0.303	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<4>,1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Fe<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|S<2>,3|H<1>}	105.7910	0.000	1	105.7910	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,3|H<1>}	107.2060	0.000	1	106.3837	0.467	22	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	105.8040	0.279	2	106.3837	0.467	22	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<2>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	106.1400	0.000	1	106.3837	0.467	22	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	106.7435	0.726	2	106.3837	0.467	22	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<2>,1|S<1>,2|H<1>}	106.2740	0.000	1	106.3837	0.467	22	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	106.6510	1.560	3	106.3837	0.467	22	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	105.1080	0.000	1	106.3837	0.467	22	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,3|H<1>}	106.4241	0.281	11	106.3837	0.467	22	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pd<4>,1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|S<2>,3|H<1>}	106.1770	0.000	1	106.1770	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Rh<6>,1|C<3>,1|S<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Rh<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|C<3>,1|S<3>,3|H<1>}	105.5120	0.000	1	105.5120	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Si<4>,1|C<3>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Si<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|C<3>,1|S<1>,3|H<1>}	106.8750	0.106	2	106.8750	0.011	2	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,3|H<1>}	106.1480	0.000	1	106.3656	0.325	11	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,3|H<1>}	106.3874	0.596	10	106.3656	0.325	11	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	106.6710	0.000	1	106.6710	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){1|Co<5>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<5>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<3>,3|H<1>}	106.1850	0.000	1	106.1850	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){1|Zn<5>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Zn<5>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|N<2>,3|H<1>}	106.1170	0.000	1	106.1170	0.000	1	106.0636	0.637	1075	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Hg)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|Hg<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Hg){1|C<4>,2|C<3>,2|H<1>}	112.3860	0.000	1	112.3860	0.000	1	112.4100	0.001	2	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Mo)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|Mo<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Mo){1|C<4>,2|C<3>,2|H<1>}	112.4340	0.000	1	112.4340	0.000	1	112.4100	0.001	2	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|In<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|In<5>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	107.4240	0.147	2	107.4240	0.022	2	107.2105	0.112	6	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	106.5880	0.000	1	106.5880	0.000	1	107.2105	0.112	6	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<8>,1|N<3>,2|C<3>,3|H<1>}	107.2757	0.151	3	107.2757	0.023	3	107.2105	0.112	6	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<2>}	106.1310	0.000	1	106.1310	0.000	1	106.9044	0.143	13	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	106.9259	0.232	7	106.9259	0.054	7	106.9044	0.143	13	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	107.0893	0.497	3	107.0290	0.179	5	106.9044	0.143	13	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<3>}	106.9385	0.443	2	107.0290	0.179	5	106.9044	0.143	13	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	106.9898	0.337	12	106.9898	0.114	12	106.9898	0.114	12	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]B)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]N[5]H){1|B<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]B)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	106.9860	0.000	1	106.9860	0.000	1	106.7858	0.842	55	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Cu<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cu<6>,1|C<3>,3|H<1>}	104.8407	1.902	4	104.8407	3.616	4	106.7858	0.842	55	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Fe<5>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<5>,1|C<3>,3|H<1>}	106.5410	0.000	1	106.5410	0.000	1	106.7858	0.842	55	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,4|H<1>}	107.4158	0.955	4	107.4158	0.912	4	106.7858	0.842	55	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Os)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Os<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Os)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Os<6>,1|C<3>,3|H<1>}	107.0735	0.387	6	107.0735	0.150	6	106.7858	0.842	55	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Re<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	107.7387	0.700	6	107.7387	0.491	6	106.7858	0.842	55	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Re<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Re<6>,1|C<3>,3|H<1>}	107.0145	0.523	4	107.0145	0.274	4	106.7858	0.842	55	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Br<1>,1|Ru<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ru<6>,1|C<3>,3|H<1>}	106.5920	0.000	1	106.6622	0.159	28	106.7858	0.842	55	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Ru<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ru<6>,1|C<3>,3|H<1>}	106.6648	0.405	27	106.6622	0.159	28	106.7858	0.842	55	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Zn<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Zn<5>,1|C<3>,3|H<1>}	107.1930	0.000	1	107.1930	0.000	1	106.7858	0.842	55	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	108.2380	0.000	1	108.2380	0.000	1	108.2353	1.295	7	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	108.2785	2.757	2	108.2348	1.554	6	108.2353	1.295	7	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	108.2130	0.235	4	108.2348	1.554	6	108.2353	1.295	7	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]H)	N[5](C[5,6a]C[6a,6a]N[5,6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[5,6a]C[6a,6a]N[5,6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	107.0280	0.000	1	107.0280	0.000	1	107.0280	0.000	1	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	108.3765	0.986	2	108.1378	0.314	5	107.8562	0.236	18	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	107.9787	0.218	3	108.1378	0.314	5	107.8562	0.236	18	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	107.7266	0.382	7	107.7266	0.146	7	107.8562	0.236	18	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<2>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,3|H<1>}	108.4110	0.000	1	108.4110	0.000	1	107.8562	0.236	18	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,4|H<1>}	107.4877	0.138	3	107.6452	0.207	5	107.8562	0.236	18	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,4|H<1>}	107.8815	0.777	2	107.6452	0.207	5	107.8562	0.236	18	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]C[5]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]C[5]H){1|N<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	106.6400	0.000	1	106.6400	0.000	1	106.6400	0.000	1	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){1|N<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	106.8730	0.000	1	107.0640	0.073	2	107.0207	0.050	6	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){1|N<2>,2|H<1>,4|C<3>}	107.2550	0.000	1	107.0640	0.073	2	107.0207	0.050	6	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){2|H<1>,5|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){2|H<1>,5|C<3>}	106.9990	0.241	4	106.9990	0.058	4	107.0207	0.050	6	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]N[5]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]Zn)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]N[5]H){1|Zn<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]Zn)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Zn<4>,2|C<3>,2|H<1>}	107.2540	0.000	1	107.2540	0.000	1	107.2540	0.000	1	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]C[5]H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	106.1410	0.000	1	106.1410	0.000	1	106.1410	0.000	1	106.7203	2.466	1423	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6,6a]H)(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6,6a]H)(C[5,5]C[5]3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	109.6750	0.000	1	109.6750	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	107.7630	0.000	1	107.7630	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC){1|Cl<1>,2|C<3>,2|H<1>}	108.8330	0.000	1	108.8330	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	110.7020	0.334	2	110.7020	0.111	2	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|F<1>,2|C<3>,2|H<1>}	108.5895	0.032	2	108.5394	0.063	11	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|N<3>,2|C<3>,2|H<1>}	109.0140	0.000	1	108.5394	0.063	11	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	108.4675	0.225	8	108.5394	0.063	11	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|F<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|O<2>,2|C<3>,2|H<1>}	110.5780	0.000	1	110.5780	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<2>,3|H<1>}	109.6080	0.000	1	109.6080	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	109.6740	0.000	1	109.6740	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.6560	0.000	1	109.4103	0.057	3	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	109.1810	0.000	1	109.4103	0.057	3	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	109.3940	0.000	1	109.4103	0.057	3	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	111.9640	0.000	1	111.9640	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	109.0560	0.000	1	109.0560	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]ClC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]ClC){1|C<3>,1|O<1>,3|H<1>}	109.8047	0.470	3	109.8047	0.221	3	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	109.2430	0.000	1	109.6940	0.167	3	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.0410	0.000	1	109.6940	0.167	3	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	109.7980	0.000	1	109.6940	0.167	3	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	109.2785	0.262	2	109.3203	0.040	3	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	109.4040	0.000	1	109.3203	0.040	3	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<3>,1|F<1>,1|O<1>,2|C<4>,3|H<1>}	109.1530	0.000	1	109.5804	0.108	7	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|Cl<1>,1|C<4>,1|F<1>,1|O<1>,2|C<3>,2|H<1>}	109.2370	0.000	1	109.5804	0.108	7	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	109.9960	0.000	1	109.5804	0.108	7	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	109.7760	0.071	2	109.5804	0.108	7	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.3450	0.000	1	109.5804	0.108	7	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,3|C<3>,4|H<1>}	109.7800	0.000	1	109.5804	0.108	7	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2S){1|O<1>,3|C<3>,3|H<1>}	109.7000	0.000	1	109.7000	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	109.5843	0.076	3	109.3488	0.294	10	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.6990	0.000	1	109.3488	0.294	10	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	108.8880	0.897	3	109.3488	0.294	10	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	109.4560	0.000	1	109.3488	0.294	10	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	109.4580	0.257	2	109.3488	0.294	10	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|O<1>,3|H<1>}	109.9530	0.000	1	109.9530	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	109.2610	0.000	1	109.3137	0.021	6	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	109.3242	0.158	5	109.3137	0.021	6	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	109.4460	0.000	1	109.4455	0.019	8	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	109.4443	0.164	6	109.4455	0.019	8	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	109.4520	0.000	1	109.4455	0.019	8	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	109.3940	0.566	3	109.4378	0.170	33	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	109.4190	0.000	1	109.4378	0.170	33	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	109.6860	0.000	1	109.4378	0.170	33	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	108.9700	0.000	1	109.4378	0.170	33	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	109.4890	0.408	25	109.4378	0.170	33	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	108.8640	0.000	1	109.4378	0.170	33	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	109.1030	0.000	1	109.4378	0.170	33	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|O<1>,3|H<1>}	109.7040	0.000	1	109.7040	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|F<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.1260	0.322	2	110.1328	0.041	4	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|F<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	110.1395	0.136	2	110.1328	0.041	4	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	109.2100	0.000	1	109.2265	0.073	18	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,3|H<1>}	109.2206	0.286	16	109.2265	0.073	18	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,3|H<1>}	109.3370	0.000	1	109.2265	0.073	18	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,3|H<1>}	109.4000	0.000	1	109.4000	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|O<1>,3|H<1>}	109.4810	0.000	1	109.4810	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NS){1|C<3>,1|O<1>,3|H<1>}	109.3430	0.000	2	109.3430	0.000	2	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]OO){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	110.1875	0.013	2	110.1875	0.000	2	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]SS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|S<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]SS){1|C<3>,1|O<1>,3|H<1>}	109.5640	0.000	1	109.5640	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	109.1130	0.000	1	109.1130	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|S<1>,3|H<1>}	108.9340	0.000	1	108.9340	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	112.1430	0.000	1	112.1430	0.000	1	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|I<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	109.5520	0.369	2	109.5520	0.136	2	109.4283	0.364	134	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]FF)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|F<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]FF){1|O<1>,3|C<3>,3|H<1>}	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	107.2330	0.000	1	107.2330	0.000	1	108.1373	4.441	3	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	108.5895	2.767	2	108.5895	7.656	2	108.1373	4.441	3	109.4130	0.471	139	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,7|H<1>}	108.6220	0.000	1	108.6220	0.000	1	110.3875	4.689	6	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	112.8040	2.174	2	110.7406	4.926	5	110.3875	4.689	6	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,7|H<1>}	108.9990	0.000	1	110.7406	4.926	5	110.3875	4.689	6	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,3|C<3>,4|H<1>}	110.0890	0.000	1	110.7406	4.926	5	110.3875	4.689	6	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	109.0070	0.000	1	110.7406	4.926	5	110.3875	4.689	6	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	110.8310	0.000	1	110.8310	0.000	1	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	111.8660	3.141	2	109.7722	10.778	4	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	107.6785	2.221	2	109.7722	10.778	4	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	109.9850	0.000	2	109.6723	0.293	3	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	109.0470	0.000	1	109.6723	0.293	3	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	109.8910	0.000	1	109.8910	0.000	1	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	108.8080	0.000	1	108.8080	0.000	1	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	109.2030	0.000	1	109.6169	0.086	44	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.5330	0.000	1	109.6169	0.086	44	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	109.7020	0.308	4	109.6169	0.086	44	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,3|H<1>,4|C<4>}	109.5060	0.000	1	109.6169	0.086	44	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.6525	0.312	2	109.6169	0.086	44	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	109.5970	0.086	2	109.6169	0.086	44	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	109.8245	0.238	4	109.6169	0.086	44	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,5|H<1>}	109.7950	0.436	3	109.6169	0.086	44	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<4>,3|H<1>,4|C<3>}	109.4360	0.000	1	109.6169	0.086	44	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	109.5620	0.000	1	109.6169	0.086	44	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	109.7685	0.249	4	109.6169	0.086	44	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.4627	0.363	8	109.6169	0.086	44	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	109.5502	0.279	10	109.6169	0.086	44	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.6800	0.000	1	109.6169	0.086	44	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	109.9570	0.000	1	109.6169	0.086	44	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|C<2>,3|H<1>}	110.0140	0.000	1	109.8721	0.066	7	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|C<2>,2|H<1>}	109.9827	0.327	3	109.8721	0.066	7	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.8910	0.000	1	109.8721	0.066	7	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	109.6260	0.044	2	109.8721	0.066	7	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	108.6190	0.000	1	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	109.3270	0.000	1	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	109.1390	0.000	1	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	109.7930	0.000	1	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|C<2>,5|H<1>}	109.4765	0.338	4	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	108.1550	0.000	1	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	109.2850	0.000	1	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	109.2297	0.202	4	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	109.7600	0.000	1	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	109.6180	0.000	1	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.4200	0.000	1	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	109.2880	0.000	1	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	109.3820	0.000	1	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	109.3410	0.320	2	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	109.6593	0.442	4	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	109.4665	0.121	4	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	109.5890	0.000	1	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	109.8915	0.163	2	109.4115	0.154	32	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,2|C<4>,2|H<1>}	110.3050	0.000	1	109.8023	0.223	3	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	109.7340	0.000	1	109.8023	0.223	3	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	109.3680	0.000	1	109.8023	0.223	3	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	109.5097	0.029	3	109.5097	0.001	3	109.5858	0.473	99	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	109.7870	0.000	1	109.7870	0.000	1	109.5629	0.125	19	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	109.3300	0.000	1	109.5365	0.133	17	109.5629	0.125	19	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<2>,3|C<3>,4|H<1>}	110.1330	0.000	1	109.5365	0.133	17	109.5629	0.125	19	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	109.1170	0.000	1	109.5365	0.133	17	109.5629	0.125	19	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	109.3180	0.000	1	109.5365	0.133	17	109.5629	0.125	19	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	108.5910	0.000	1	109.5365	0.133	17	109.5629	0.125	19	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|O<1>,3|C<3>,3|H<1>}	109.7410	0.000	1	109.5365	0.133	17	109.5629	0.125	19	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	109.7780	0.000	1	109.5365	0.133	17	109.5629	0.125	19	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	110.0280	0.000	1	109.5365	0.133	17	109.5629	0.125	19	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	109.5257	0.194	3	109.5365	0.133	17	109.5629	0.125	19	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	109.6685	0.340	2	109.5365	0.133	17	109.5629	0.125	19	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,5|C<3>}	109.7240	0.000	1	109.5365	0.133	17	109.5629	0.125	19	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	109.5040	0.000	1	109.5365	0.133	17	109.5629	0.125	19	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	109.4715	0.071	2	109.5365	0.133	17	109.5629	0.125	19	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]O[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]O[6]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	109.7880	0.000	1	109.7880	0.000	1	109.5629	0.125	19	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,5|C<3>}	109.9825	0.057	2	109.9825	0.003	2	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	111.5650	1.580	3	111.5650	2.497	3	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	109.1240	0.000	1	109.1240	0.000	1	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	110.5420	0.000	1	110.5420	0.000	1	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	110.5920	0.000	1	110.5920	0.000	1	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	108.1960	0.000	1	108.1960	0.000	1	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){3|H<1>,4|C<3>}	108.3675	0.112	2	108.3675	0.013	2	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.5230	0.000	1	109.5230	0.000	1	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	109.3077	0.204	4	109.3077	0.042	4	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	109.5440	0.187	2	109.5440	0.035	2	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	109.6365	0.500	2	109.6365	0.250	2	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>}	110.0935	0.404	2	110.0935	0.163	2	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	110.1870	0.000	1	110.1870	0.000	1	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	109.1430	0.000	1	109.1430	0.000	1	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	109.0610	0.000	1	109.0538	0.007	4	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	109.0513	0.102	3	109.0538	0.007	4	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.3710	0.000	1	109.0480	0.248	6	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	108.9940	0.000	1	109.0480	0.248	6	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	108.2080	0.000	1	109.0480	0.248	6	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	109.2383	0.398	3	109.0480	0.248	6	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	109.8160	0.000	1	109.8160	0.000	1	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	110.0430	0.000	1	109.7955	0.123	2	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	109.5480	0.000	1	109.7955	0.123	2	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	109.3840	0.000	1	109.3840	0.000	1	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]O){1|O<1>,3|H<1>,5|C<3>}	109.3407	0.573	4	109.3407	0.329	4	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	108.8890	0.000	1	108.8890	0.000	1	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	109.1570	0.000	1	109.2545	0.042	6	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	109.2858	0.256	4	109.2545	0.042	6	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	109.2270	0.000	1	109.2545	0.042	6	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	110.0300	0.000	1	110.0300	0.000	1	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]Br){1|O<1>,3|C<3>,3|H<1>}	109.6010	0.000	1	109.6010	0.000	1	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	109.6650	0.000	1	109.6650	0.000	1	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	109.4650	0.000	1	109.4650	0.000	1	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|I<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|I<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	109.8100	0.000	1	109.8100	0.000	1	109.5208	0.625	54	109.5907	0.618	178	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	109.3687	1.103	3	109.3687	1.217	3	109.5416	0.346	18	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	109.5370	0.000	1	109.4177	0.066	10	109.5416	0.346	18	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	109.4044	0.269	9	109.4177	0.066	10	109.5416	0.346	18	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	109.1670	0.000	1	109.1670	0.000	1	109.5416	0.346	18	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	109.6085	0.605	2	110.0747	0.445	4	109.5416	0.346	18	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	110.5410	0.317	2	110.0747	0.445	4	109.5416	0.346	18	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	109.3080	0.000	1	109.3875	0.013	2	109.6333	0.086	4	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,3|C<3>,4|H<1>}	109.4670	0.000	1	109.3875	0.013	2	109.6333	0.086	4	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,5|H<1>}	109.8410	0.000	1	109.8790	0.003	2	109.6333	0.086	4	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,4|H<1>}	109.9170	0.000	1	109.8790	0.003	2	109.6333	0.086	4	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]C)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,4|C<3>,4|H<1>}	109.5990	0.000	1	109.5990	0.000	1	109.4950	0.116	9	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(H)	C[5,6a](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.2950	0.086	2	109.2950	0.007	2	109.4950	0.116	9	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	109.5443	0.403	6	109.5443	0.163	6	109.4950	0.116	9	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	110.0775	0.244	2	110.0775	0.060	2	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,5|C<4>}	109.9220	0.252	2	109.9220	0.063	2	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	109.6210	0.000	1	109.6210	0.000	1	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	109.8340	0.000	1	109.8340	0.000	1	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	109.6790	0.000	1	109.6790	0.000	1	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>,3|H<1>}	110.1330	0.000	1	109.5113	0.191	24	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	109.5695	0.111	2	109.5113	0.191	24	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	109.4186	0.457	14	109.5113	0.191	24	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	109.4942	0.471	5	109.5113	0.191	24	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,3|H<1>,5|C<3>}	109.6870	0.000	1	109.5113	0.191	24	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	109.9810	0.000	1	109.5113	0.191	24	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	109.7640	0.000	1	109.8474	0.074	39	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	110.0840	0.000	1	109.8474	0.074	39	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	109.9242	0.223	21	109.8474	0.074	39	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	109.2180	0.000	1	109.8474	0.074	39	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.8360	0.000	1	109.8474	0.074	39	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	109.7671	0.295	14	109.8474	0.074	39	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	109.8670	0.000	1	109.8670	0.000	1	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	110.1650	0.000	2	110.0579	0.014	9	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	110.0506	0.097	5	110.0579	0.014	9	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	109.9690	0.181	2	110.0579	0.014	9	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	110.0270	0.000	1	109.9530	0.011	2	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	109.8790	0.000	1	109.9530	0.011	2	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	109.3020	0.000	1	109.2695	0.130	16	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,6|H<1>}	109.1590	0.000	1	109.2695	0.130	16	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	109.2360	0.436	4	109.2695	0.130	16	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	109.0950	0.000	2	109.2695	0.130	16	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	109.4060	0.000	1	109.2695	0.130	16	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	109.1455	0.535	4	109.2695	0.130	16	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	109.5763	0.193	3	109.2695	0.130	16	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	109.8537	0.447	4	109.6614	0.128	32	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	109.4920	0.000	1	109.6614	0.128	32	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.2250	0.000	1	109.6614	0.128	32	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	109.6765	0.100	2	109.6614	0.128	32	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.4345	0.309	2	109.6614	0.128	32	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	109.6426	0.397	18	109.6614	0.128	32	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	109.7850	0.008	2	109.6614	0.128	32	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	109.8375	0.153	2	109.6614	0.128	32	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.6970	0.038	2	109.9049	0.130	10	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	109.9569	0.389	8	109.9049	0.130	10	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.2540	0.246	2	109.2540	0.061	2	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	109.2663	0.175	3	109.2663	0.030	3	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	109.5930	0.000	1	109.5930	0.000	1	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	110.1970	0.000	1	110.1513	0.089	3	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	110.1285	0.419	2	110.1513	0.089	3	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	110.4990	0.031	2	109.8216	0.172	27	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	109.1915	0.613	2	109.8216	0.172	27	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	110.3210	0.000	1	109.8216	0.172	27	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	110.0090	0.085	2	109.8216	0.172	27	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	109.2980	0.338	2	109.8216	0.172	27	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.7553	0.251	12	109.8216	0.172	27	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	110.1265	0.115	2	109.8216	0.172	27	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<4>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	110.0715	0.180	2	109.8216	0.172	27	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.3370	0.000	1	109.8216	0.172	27	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	110.0700	0.000	1	109.8216	0.172	27	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.6360	0.000	1	109.5618	0.137	4	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.5370	0.450	3	109.5618	0.137	4	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|S<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,5|C<3>}	108.6980	0.000	1	108.6980	0.000	1	109.7058	0.165	181	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	110.1000	0.000	1	110.1000	0.000	1	109.8510	0.124	2	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H)	C[5,6a](C[5,6,6]C[3x6]S[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6,6]C[3x6]S[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	109.6020	0.000	1	109.6020	0.000	1	109.8510	0.124	2	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	109.6560	0.000	1	109.6560	0.000	1	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	110.1310	0.000	1	109.8780	0.128	2	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,4|C<3>,4|H<1>}	109.6250	0.000	1	109.8780	0.128	2	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.6590	0.256	6	109.6590	0.065	6	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	109.1220	0.123	2	109.2370	0.047	3	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	109.4670	0.000	1	109.2370	0.047	3	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[5]C[6]S[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]S[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	109.9230	0.317	2	109.9230	0.100	2	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	109.8910	0.000	1	109.8910	0.000	1	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	109.1935	0.064	2	108.6244	4.562	8	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	109.5920	0.000	1	108.6244	4.562	8	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|F<1>,1|O<1>,2|H<1>,4|C<3>}	109.7050	0.000	1	108.6244	4.562	8	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|I<1>,1|O<1>,2|H<1>,4|C<3>}	103.3660	0.000	1	108.6244	4.562	8	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	109.3150	0.216	3	108.6244	4.562	8	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	109.7560	0.000	1	109.7762	0.057	6	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	109.7802	0.266	5	109.7762	0.057	6	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|C<3>,3|H<1>}	109.2090	0.000	1	109.6766	0.247	5	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	110.3570	0.000	1	109.6766	0.247	5	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	109.7150	0.468	2	109.6766	0.247	5	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	109.3870	0.000	1	109.6766	0.247	5	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	109.3430	0.000	1	109.5915	0.045	4	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	109.5915	0.101	2	109.5915	0.045	4	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,5|C<3>}	109.8400	0.000	1	109.5915	0.045	4	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	109.7290	0.000	1	109.7290	0.000	1	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	109.5880	0.000	1	109.4107	0.086	4	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	109.1930	0.256	2	109.4107	0.086	4	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	109.6690	0.000	1	109.4107	0.086	4	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	109.8460	0.000	1	109.8460	0.000	1	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6]N[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]N[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	109.9105	0.450	2	109.9105	0.203	2	109.4838	0.954	46	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	109.5850	0.000	1	109.7035	0.028	2	109.7777	0.031	3	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,4|C<3>,4|H<1>}	109.8220	0.000	1	109.7035	0.028	2	109.7777	0.031	3	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5]N[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5]N[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	109.9260	0.000	1	109.9260	0.000	1	109.7777	0.031	3	109.6494	0.314	263	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<2>,1|C<3>,1|S<1>,2|H<1>}	114.1230	0.000	1	114.1230	0.000	1	114.1230	0.000	1	114.1230	0.000	1	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC){1|Ge<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	106.4570	0.000	1	106.4570	0.000	1	106.4570	0.000	1	111.8816	11.059	18	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|N<2>}	106.7950	0.000	1	106.7950	0.000	1	106.6480	0.043	2	111.8816	11.059	18	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(NC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	106.5010	0.000	1	106.5010	0.000	1	106.6480	0.043	2	111.8816	11.059	18	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	108.8180	0.645	2	108.8180	0.416	2	108.8180	0.416	2	111.8816	11.059	18	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Ge[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]Ge[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]Ge[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]Ge[5]){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]Ge[5]){1|H<1>,5|C<3>}	113.4246	0.607	5	113.4246	0.368	5	113.4246	0.368	5	111.8816	11.059	18	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:Ga[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(Ga[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(Ga[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	114.3730	0.000	1	114.3730	0.000	1	114.3730	0.000	1	111.8816	11.059	18	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:In[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(In[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(In[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	116.3370	0.000	1	116.3370	0.000	1	116.3370	0.000	1	111.8816	11.059	18	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Ga[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ga[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ga[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	114.9490	0.000	1	114.9490	0.000	1	114.9490	0.000	1	111.8816	11.059	18	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Ge[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	112.9475	0.037	2	112.9475	0.001	2	112.9475	0.001	2	111.8816	11.059	18	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:In[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(In[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(In[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	117.1790	0.000	1	117.1790	0.000	1	117.1790	0.000	1	111.8816	11.059	18	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5])	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5])	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5])	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,1|S<2>,6|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]){2|H<1>,6|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,1|S<2>,6|C<3>}	110.3115	0.670	2	110.3115	0.448	2	110.3115	0.448	2	111.8816	11.059	18	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	107.9175	0.011	2	107.9175	0.000	2	107.9175	0.000	2	107.9175	0.000	2	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(OC)	C[5,6a](C[5,6]C[5,5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]2){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<3>,1|C<3>,1|S<2>,2|H<1>}	114.6312	2.149	6	114.6312	4.616	6	113.8433	3.912	10	111.5508	15.070	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]Ru){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<3>,1|C<3>,1|S<2>,2|H<1>}	112.6615	0.970	4	112.6615	0.940	4	113.8433	3.912	10	111.5508	15.070	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	106.1830	0.000	1	106.1830	0.000	1	106.1830	0.000	1	111.5508	15.070	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CNS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CNS){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	111.3940	0.000	1	111.3940	0.000	1	111.3940	0.000	1	111.5508	15.070	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CCH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	114.8950	0.000	1	114.8950	0.000	1	114.8950	0.000	1	111.5508	15.070	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(SNi2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(SNi2){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,1|S<3>,2|H<1>}	112.6140	0.000	1	112.6140	0.000	1	112.6140	0.000	1	111.5508	15.070	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:B[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]N[5,6])(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]N[5,6])(C[5]S[5]S){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<3>,1|C<3>,1|S<1>,2|H<1>}	113.0875	1.018	2	113.0875	1.035	2	113.0875	1.035	2	111.5508	15.070	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	105.6460	0.000	1	105.6460	0.000	1	105.6460	0.000	1	111.5508	15.070	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]S[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]S[5]N){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	112.1940	0.000	1	112.1940	0.000	1	112.1940	0.000	1	111.5508	15.070	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]N[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]N[5])(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]N[5]Cd){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Cd<6>,2|C<3>,2|H<1>}	104.4720	0.000	1	104.4720	0.000	1	104.4720	0.000	1	111.5508	15.070	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]B[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(B[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]B[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]B[5]C[6])(C[6a]C[6a]H){1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(B[5]N[5]Ir){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]B[5]){1|Ir<8>,2|C<3>,2|H<1>}	106.4400	0.000	1	106.4400	0.000	1	106.4400	0.000	1	111.5508	15.070	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]N[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]N[5]Ru){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Ru<6>,2|C<3>,2|H<1>}	104.1210	0.000	1	104.1210	0.000	1	104.1210	0.000	1	111.5508	15.070	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,5]C[6a])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,5]C[5,5]B[5])	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,5]C[6a]){1|B<4>,1|H<1>,7|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,5]C[5,5]B[5]){1|H<1>,2|C<4>,7|C<3>}	106.3158	0.308	4	106.3158	0.095	4	106.3158	0.095	4	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6a](C[5,6a]C[6a,6a]N[5,6])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6]C[6a])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,6]C[5,6]B[6])	C[5,6a](C[5,6a]C[6a,6a]N[5,6])(C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6]C[6a]){1|B<4>,1|H<1>,7|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,6]C[5,6]B[6]){1|H<1>,1|O<2>,8|C<3>}	106.4330	0.000	1	106.4330	0.000	1	106.4330	0.000	1	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	109.6415	0.103	2	109.6415	0.011	2	109.3893	0.193	22	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	109.8830	0.000	1	109.8830	0.000	1	109.3893	0.193	22	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	109.5216	0.298	5	109.5216	0.089	5	109.3893	0.193	22	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	108.4250	0.000	1	108.4250	0.000	1	109.3893	0.193	22	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	109.0830	0.000	1	109.0830	0.000	1	109.3893	0.193	22	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CNO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CNO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	110.1700	0.000	1	110.1700	0.000	1	109.3893	0.193	22	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	109.4380	0.000	1	109.4380	0.000	1	109.3893	0.193	22	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	109.7320	0.000	1	109.2675	0.162	10	109.3893	0.193	22	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	109.2159	0.390	9	109.2675	0.162	10	109.3893	0.193	22	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CHH){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<4>,2|C<3>,2|H<1>}	106.1800	0.000	1	106.1800	0.000	1	105.9192	0.109	5	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	106.3420	0.000	1	106.3420	0.000	1	105.9192	0.109	5	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|H<1>,3|C<3>}	105.6020	0.000	1	105.6020	0.000	1	105.9192	0.109	5	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	105.8440	0.000	1	105.8440	0.000	1	105.9192	0.109	5	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(COO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,2|C<3>,2|H<1>}	105.6280	0.000	1	105.6280	0.000	1	105.9192	0.109	5	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:P-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PN[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PN[5]2){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	106.5633	0.142	3	106.5633	0.020	3	106.5633	0.020	3	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]C[5]){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	105.9740	0.000	1	105.9740	0.000	1	105.9740	0.000	1	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(CCN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(CCN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Re<6>,2|C<3>,2|H<1>}	105.6660	0.051	2	105.6660	0.003	2	105.7817	0.041	3	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(CCN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ru<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(CCN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ru<6>,2|C<3>,2|H<1>}	106.0130	0.000	1	106.0130	0.000	1	105.7817	0.041	3	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]O)(CC[6a]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C){1|O<1>,2|C<3>,2|H<1>}	111.0765	1.500	2	111.0765	2.249	2	111.0765	2.249	2	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	106.7700	0.000	1	106.7700	0.000	1	106.9430	0.060	2	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](N[5,6]B[6,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[5,6a](N[5,6]B[6,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	107.1160	0.000	1	107.1160	0.000	1	106.9430	0.060	2	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(C[6]N[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(C[6]N[6]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	104.5670	0.000	1	104.5670	0.000	1	104.7707	0.070	6	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(C[6]N[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ni<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(C[6]N[6]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,2|C<3>,2|H<1>}	104.9725	0.180	2	104.9725	0.033	2	104.7707	0.070	6	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(C[6]N[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(C[6]N[6]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	104.8775	0.005	2	104.8775	0.000	2	104.7707	0.070	6	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(C[6]N[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(C[6]N[6]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	104.3570	0.000	1	104.3570	0.000	1	104.7707	0.070	6	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cu<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Cu<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|H<1>,3|C<3>}	105.9830	0.000	1	105.9830	0.000	1	106.3412	0.325	39	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Ir<6>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|H<1>,3|C<3>}	106.7830	0.000	1	106.7590	0.001	2	106.3412	0.325	39	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|H<1>,3|C<3>}	106.7350	0.000	1	106.7590	0.001	2	106.3412	0.325	39	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){2|H<1>,3|C<3>}	106.2410	0.000	1	106.2410	0.000	1	106.3412	0.325	39	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Zn<5>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Zn<5>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|H<1>,3|C<3>}	105.9785	0.414	2	105.9785	0.171	2	106.3412	0.325	39	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|H<1>,3|C<3>}	106.4847	0.626	15	106.4847	0.392	15	106.3412	0.325	39	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pt<4>,1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|H<1>,3|C<3>}	105.9395	0.098	2	106.3442	0.202	13	106.3412	0.325	39	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pt<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|H<1>,3|C<3>}	106.4177	0.451	11	106.3442	0.202	13	106.3412	0.325	39	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Re<6>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Re<6>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){2|H<1>,3|C<3>}	106.6110	0.512	2	106.6110	0.262	2	106.3412	0.325	39	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<6>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ru<6>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|H<1>,3|C<3>}	106.3160	0.000	1	106.3160	0.000	1	106.3412	0.325	39	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]P)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cu<4>,1|H<1>,1|P<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Cu<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]P)(N[5]C[5]Cu){2|H<1>,3|C<3>}	105.1635	0.036	2	105.1635	0.001	2	106.3412	0.325	39	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	106.6562	0.200	6	106.6562	0.040	6	106.6562	0.040	6	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,3|H<1>}	104.7030	0.000	1	104.7030	0.000	1	104.0595	0.828	2	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|N<3>,2|H<1>}	103.4160	0.000	1	103.4160	0.000	1	104.0595	0.828	2	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]Ru){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	105.4330	0.000	1	105.4330	0.000	1	105.3235	0.025	4	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|N<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]H){1|Ir<8>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,3|H<1>}	105.3020	0.000	1	105.3020	0.000	1	105.3235	0.025	4	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]Ru){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	105.2795	0.243	2	105.2795	0.059	2	105.3235	0.025	4	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]N[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(N[5]C[5]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]N[5]H){2|C<3>,3|H<1>}	105.5390	0.000	1	105.5390	0.000	1	105.5390	0.000	1	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Fe<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Fe){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,2|C<3>,2|H<1>}	105.1307	1.205	3	105.1307	1.451	3	104.8184	0.562	23	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ir){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	105.3487	0.525	3	105.3487	0.276	3	104.8184	0.562	23	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Mn){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	104.6570	0.000	1	104.6570	0.000	1	104.8184	0.562	23	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Pd){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	105.3560	0.000	1	103.9248	0.678	5	104.8184	0.562	23	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Pd){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<6>,2|C<3>,2|H<1>}	103.5670	0.224	4	103.9248	0.678	5	104.8184	0.562	23	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Re){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	104.9913	0.239	3	104.9913	0.057	3	104.8184	0.562	23	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,2|C<3>,2|H<1>}	104.9140	0.251	5	104.9140	0.063	5	104.8184	0.562	23	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Ru){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,2|C<3>,2|H<1>}	105.1870	0.250	3	105.1870	0.063	3	104.8184	0.562	23	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]N[5]Pd){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	105.2055	0.019	2	105.2055	0.000	2	105.2055	0.000	2	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]Fe){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<6>,2|C<3>,2|H<1>}	106.0532	0.187	4	106.0532	0.035	4	106.0532	0.035	4	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|Cl<1>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	108.9700	0.400	2	108.9700	0.160	2	110.1535	0.835	8	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	110.5053	0.974	3	110.5053	0.948	3	110.1535	0.835	8	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	110.5030	0.000	1	110.5907	0.023	3	110.1535	0.835	8	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	110.7640	0.000	1	110.5907	0.023	3	110.1535	0.835	8	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	110.5050	0.000	1	110.5907	0.023	3	110.1535	0.835	8	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	106.4120	0.000	1	106.4120	0.000	1	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Ir){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	105.5320	0.000	1	105.5320	0.000	1	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd){1|C<4>,1|H<1>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	105.5787	0.197	3	105.4306	0.075	5	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	105.0360	0.000	1	105.4306	0.075	5	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<5>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd){1|C<4>,1|H<1>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,2|C<3>,2|H<1>}	105.3810	0.000	1	105.4306	0.075	5	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	106.5810	0.000	1	106.5810	0.000	1	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Fe<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Fe){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<4>,2|C<3>,2|H<1>}	105.7419	0.175	9	105.6094	0.438	12	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Fe<8>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Fe){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<8>,2|C<3>,2|H<1>}	105.2120	1.405	3	105.6094	0.438	12	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	105.9945	0.168	2	106.1960	0.077	4	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	106.2530	0.000	1	106.1960	0.077	4	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	106.5420	0.000	1	106.1960	0.077	4	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	105.4485	0.438	20	105.5461	0.219	24	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	106.1180	0.000	1	105.5461	0.219	24	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,2|C<3>,2|H<1>}	105.6410	0.000	1	105.5461	0.219	24	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	106.1880	0.240	2	105.5461	0.219	24	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,2|C<3>,2|H<1>}	105.7500	0.477	7	105.5074	0.177	14	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<6>,1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,1|C<4>,1|H<1>,2|C<3>}	105.0780	0.000	1	105.5074	0.177	14	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<7>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<7>,2|C<3>,2|H<1>}	105.2762	0.124	5	105.5074	0.177	14	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<8>,1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<8>,1|C<4>,1|H<1>,2|C<3>}	105.3940	0.000	1	105.5074	0.177	14	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	105.6010	0.296	2	106.0173	0.739	10	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	106.1630	1.091	3	106.0173	0.739	10	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	106.1273	1.113	4	106.0173	0.739	10	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<7>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<7>,2|C<3>,2|H<1>}	105.9730	0.000	1	106.0173	0.739	10	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Rh<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	106.2160	0.667	3	106.2160	0.445	3	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	105.5700	0.000	1	105.4635	0.922	4	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<4>,1|H<1>,2|C<3>}	105.4280	1.173	3	105.4635	0.922	4	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,2|C<3>,2|H<1>}	107.7460	0.000	1	107.6000	0.013	4	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,2|C<3>,2|H<1>}	107.5513	0.077	3	107.6000	0.013	4	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]C){1|Ru<9>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<4>,2|C<3>,2|H<1>}	105.9220	0.000	1	105.9220	0.000	1	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	105.9085	0.188	6	105.9085	0.035	6	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]N[5]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	105.5495	0.122	2	105.5495	0.015	2	105.7775	0.476	92	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	106.5685	0.194	2	106.4783	0.039	4	106.2723	0.565	44	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	106.3880	0.218	2	106.4783	0.039	4	106.2723	0.565	44	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<5>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|Ir<5>,2|C<3>,2|H<1>,3|C<4>}	105.9300	0.276	2	105.9300	0.076	2	106.2723	0.565	44	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<5>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<5>,2|H<1>,4|C<3>}	106.7472	0.370	6	106.2677	0.454	20	106.2723	0.565	44	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<5>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<5>,2|H<1>,4|C<3>}	105.8033	0.313	6	106.2677	0.454	20	106.2723	0.565	44	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	106.6460	1.027	4	106.2677	0.454	20	106.2723	0.565	44	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	105.8665	0.365	4	106.2677	0.454	20	106.2723	0.565	44	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<4>,2|H<1>,4|C<3>}	107.1285	0.209	2	106.2011	1.395	8	106.2723	0.565	44	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<4>,2|H<1>,4|C<3>}	105.0625	0.039	2	106.2011	1.395	8	106.2723	0.565	44	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<6>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<6>,2|H<1>,4|C<3>}	107.4640	0.061	2	106.2011	1.395	8	106.2723	0.565	44	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<6>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<6>,2|H<1>,4|C<3>}	105.1495	0.046	2	106.2011	1.395	8	106.2723	0.565	44	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	106.8050	0.355	2	106.8050	0.126	2	106.2723	0.565	44	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	106.2467	0.946	4	106.2467	0.895	4	106.2723	0.565	44	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pt){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	106.2335	1.165	2	106.2335	1.356	2	106.2723	0.565	44	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Rh<6>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Rh<6>,2|H<1>,4|C<3>}	106.0910	0.676	2	106.0910	0.457	2	106.2723	0.565	44	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(N[5]C[6a]C[5])(C[6a]N[6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(N[5]C[6a]C[5])(C[6a]N[6a]O){1|H<1>,3|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Ga[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ga[5]N[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H){1|Fe<5>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ga[5]N[5]Fe){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H){1|Fe<5>,2|C<3>,2|H<1>,2|N<3>}	115.7400	0.000	1	115.7400	0.000	1	115.7400	0.000	1	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(P[5]N[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(P[5]N[5]N){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C){1|N<3>,2|C<3>,2|H<1>}	109.8480	0.000	1	109.8480	0.000	1	109.8480	0.000	1	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:Ga[5]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]N[5]Fe)(C[5]N[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H){1|Fe<5>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]N[5]Fe)(C[5]N[5]2){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H){1|Fe<5>,2|H<1>,4|C<3>}	113.8440	0.000	1	113.8440	0.000	1	113.8440	0.000	1	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a])	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	111.1380	0.000	1	111.1380	0.000	1	111.1380	0.000	1	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:As[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]As[5]C[6a])	N[5](C[5,6a]C[5a,6a]C[5,6a])(As[5]N[5]Cl)(C[6a]C[6a]2)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]As[5]C[6a])	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]As[5]C[6a]){1|Cl<1>,1|H<1>,1|S<2>,6|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(As[5]N[5]Cl)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]As[5]C[6a]){1|Cl<1>,1|H<1>,1|S<2>,6|C<3>}	112.7270	0.154	2	112.7270	0.024	2	112.4952	0.080	4	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:As[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]As[5]C[6a])	N[5](C[5,6a]C[5a,6a]C[5,6a])(As[5]N[5]Pt)(C[6a]C[6a]2)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]As[5]C[6a])	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]As[5]C[6a]){1|Pt<3>,1|H<1>,1|S<2>,6|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(As[5]N[5]Pt)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]As[5]C[6a]){1|Pt<3>,1|H<1>,1|S<2>,6|C<3>}	112.2635	0.032	2	112.2635	0.001	2	112.4952	0.080	4	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5])	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]Cl)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5])	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5]){1|Cl<1>,1|H<1>,1|S<2>,6|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]Cl){2|H<1>,6|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5]){1|Cl<1>,1|H<1>,1|S<2>,6|C<3>}	110.3635	0.554	2	110.3635	0.307	2	110.4875	0.192	4	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5])	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]Pt)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5])	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5]){1|Pt<3>,1|H<1>,1|S<2>,6|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]Pt){2|H<1>,6|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5a,6a]N[5])(N[5]C[6a]P[5]){1|Pt<3>,1|H<1>,1|S<2>,6|C<3>}	110.6115	0.457	2	110.6115	0.209	2	110.4875	0.192	4	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]Ir)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5]){1|Ir<6>,1|H<1>,7|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Ir<6>,1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]Ir){1|H<1>,6|C<3>}	105.7780	0.027	2	105.7780	0.001	2	106.2197	0.127	12	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]Ir)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5]){1|Ir<6>,1|H<1>,7|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,2|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]Ir){1|H<1>,6|C<3>}	106.3080	0.321	10	106.3080	0.103	10	106.2197	0.127	12	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[6]N[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6]N[6])(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]N[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[6]N[5]){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6]N[6])(N[5]C[5]Pd){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]N[5]C){1|Pd<4>,3|C<3>}	106.3400	0.000	1	106.3400	0.000	1	106.3400	0.000	1	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5]){1|Rh<6>,1|H<1>,7|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[6a]C[5]){1|Rh<6>,1|H<1>,7|C<3>}	106.3615	0.177	2	106.3615	0.032	2	106.3615	0.032	2	106.5401	3.265	302	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,3|H<1>}	108.9570	0.000	1	108.9570	0.000	1	108.9570	0.000	1	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	110.6160	0.000	1	110.6160	0.000	1	109.3285	0.516	32	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HP)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|P<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]O){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HP){2|H<1>,3|C<3>}	108.9200	0.000	1	108.9200	0.000	1	109.3285	0.516	32	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	109.0830	0.000	1	109.0830	0.000	1	109.3285	0.516	32	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	109.7310	0.000	1	109.7310	0.000	1	109.3285	0.516	32	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.4630	0.000	1	109.7210	0.133	2	109.3285	0.516	32	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,3|H<1>,4|C<3>}	109.9790	0.000	1	109.7210	0.133	2	109.3285	0.516	32	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	109.8845	0.457	2	109.5390	0.230	4	109.3285	0.516	32	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	109.1935	0.050	2	109.5390	0.230	4	109.3285	0.516	32	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	109.6360	0.000	1	109.6360	0.000	1	109.3285	0.516	32	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	109.2600	0.000	1	109.2600	0.000	1	109.3285	0.516	32	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	109.5630	0.000	1	109.5630	0.000	1	109.3285	0.516	32	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	109.5720	0.000	1	109.5720	0.000	1	109.3285	0.516	32	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	108.7790	0.298	4	108.7548	0.070	5	109.3285	0.516	32	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	108.6580	0.000	1	108.7548	0.070	5	109.3285	0.516	32	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	109.3345	0.342	2	109.2892	0.874	13	109.3285	0.516	32	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	109.2810	1.018	11	109.2892	0.874	13	109.3285	0.516	32	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[5]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[5]N[5])(C[6a]C[6a]2){3|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|N<3>,2|C<3>,2|H<1>}	110.9900	0.000	1	110.9900	0.000	1	110.9900	0.000	1	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru)(C[6]N[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<9>,1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru)(C[6]N[6]2){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<9>,2|C<3>,2|H<1>}	106.6650	0.000	1	106.6650	0.000	1	106.6650	0.000	1	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]N){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|N<3>,2|C<3>,2|H<1>}	111.2660	0.000	1	111.2660	0.000	1	111.2660	0.000	1	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	109.1805	0.166	2	109.1805	0.028	2	109.4331	0.201	17	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,3|H<1>,4|C<3>}	109.5290	0.000	1	109.5290	0.000	1	109.4331	0.201	17	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	109.7290	0.000	1	109.7290	0.000	1	109.4331	0.201	17	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	109.5650	0.000	1	109.5650	0.000	1	109.4331	0.201	17	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<2>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	110.2140	0.180	2	110.2140	0.032	2	109.4331	0.201	17	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	109.4062	0.613	4	109.2751	0.161	10	109.4331	0.201	17	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|Cl<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	108.8540	0.000	1	109.2751	0.161	10	109.4331	0.201	17	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	109.3540	0.000	1	109.2751	0.161	10	109.4331	0.201	17	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	109.2760	0.000	1	109.2751	0.161	10	109.4331	0.201	17	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	109.2140	0.167	3	109.2751	0.161	10	109.4331	0.201	17	109.3727	0.635	53	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,2|H<1>,5|C<3>}	108.8190	0.000	1	109.4641	0.267	7	109.4641	0.267	7	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	109.6030	0.000	1	109.4641	0.267	7	109.4641	0.267	7	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	109.9930	0.553	2	109.4641	0.267	7	109.4641	0.267	7	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	109.3430	0.420	2	109.4641	0.267	7	109.4641	0.267	7	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	109.1550	0.000	1	109.4641	0.267	7	109.4641	0.267	7	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CCH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	109.6290	0.000	1	109.6290	0.000	1	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	109.4040	0.000	1	109.8825	0.458	2	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	110.3610	0.000	1	109.8825	0.458	2	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	108.8130	0.000	1	109.2357	0.144	9	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,4|H<1>,6|C<3>}	109.4300	0.000	1	109.2357	0.144	9	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	109.6395	0.128	2	109.2357	0.144	9	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	109.3620	0.000	1	109.2357	0.144	9	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	109.3610	0.147	2	109.2357	0.144	9	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	108.7575	0.254	2	109.2357	0.144	9	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	109.8820	0.000	1	109.8820	0.000	1	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,6|H<1>}	109.6200	0.000	1	109.6200	0.000	1	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CNO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CNO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,5|H<1>}	109.1780	0.269	6	109.1780	0.072	6	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	109.3160	0.000	1	109.5810	0.123	4	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	109.5100	0.000	1	109.5810	0.123	4	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	109.7490	0.488	2	109.5810	0.123	4	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	110.5060	0.000	1	109.9920	0.528	2	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	109.4780	0.000	1	109.9920	0.528	2	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,2|C<3>,4|H<1>}	109.6370	0.000	1	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|N<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	109.2120	0.000	1	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	109.6800	0.000	1	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	109.2250	0.000	1	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	108.4670	0.000	1	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	109.0610	0.264	2	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	108.9590	0.000	1	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	108.8820	0.000	1	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|N<3>,4|C<3>,4|H<1>}	109.4620	0.000	1	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,5|C<3>,5|H<1>}	109.0970	0.000	1	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	109.6370	0.000	1	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	109.7940	0.000	1	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	109.5060	0.000	1	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	110.6175	0.705	2	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	109.0250	0.000	1	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	109.2880	0.092	2	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	109.2370	0.000	1	109.3877	0.306	20	109.4162	0.241	46	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	110.0890	0.000	1	109.4738	0.455	6	109.5387	0.428	22	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	110.1860	0.000	1	109.4738	0.455	6	109.5387	0.428	22	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	109.4760	0.089	2	109.4738	0.455	6	109.5387	0.428	22	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	109.3060	0.000	1	109.4738	0.455	6	109.5387	0.428	22	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	108.3100	0.000	1	109.4738	0.455	6	109.5387	0.428	22	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[5,5,6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[5,5,6]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	110.9150	0.000	1	109.6505	3.198	2	109.5387	0.428	22	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[5,5,6]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[5,5,6]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	108.3860	0.000	1	109.6505	3.198	2	109.5387	0.428	22	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	109.7740	0.000	1	109.5505	0.266	14	109.5387	0.428	22	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	110.5040	0.000	1	109.5505	0.266	14	109.5387	0.428	22	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	110.2450	0.000	1	109.5505	0.266	14	109.5387	0.428	22	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	109.0000	0.130	2	109.5505	0.266	14	109.5387	0.428	22	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	109.4493	0.454	6	109.5505	0.266	14	109.5387	0.428	22	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	109.0790	0.000	1	109.5505	0.266	14	109.5387	0.428	22	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	109.5690	0.000	1	109.5505	0.266	14	109.5387	0.428	22	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	109.8400	0.000	1	109.5505	0.266	14	109.5387	0.428	22	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.4490	0.000	1	109.4490	0.000	1	109.5385	0.123	21	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	109.6940	0.000	1	109.6940	0.000	1	109.5385	0.123	21	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	109.5850	0.000	1	109.5850	0.000	1	109.5385	0.123	21	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	110.0360	0.000	1	110.0360	0.000	1	109.5385	0.123	21	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	109.6545	0.552	2	109.6545	0.305	2	109.5385	0.123	21	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrC)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	110.2660	0.000	1	110.2660	0.000	1	109.5385	0.123	21	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	109.4930	0.000	1	109.3270	0.055	2	109.5385	0.123	21	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.1610	0.000	1	109.3270	0.055	2	109.5385	0.123	21	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	109.1105	0.385	2	109.1105	0.149	2	109.5385	0.123	21	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	109.6380	0.000	1	109.6380	0.000	1	109.5385	0.123	21	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	109.9340	0.000	1	109.5524	0.083	7	109.5385	0.123	21	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	109.1860	0.000	1	109.5524	0.083	7	109.5385	0.123	21	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	109.6095	0.222	4	109.5524	0.083	7	109.5385	0.123	21	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	109.3090	0.000	1	109.5524	0.083	7	109.5385	0.123	21	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	109.2010	0.000	1	109.2945	0.017	2	109.5385	0.123	21	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	109.3880	0.000	1	109.2945	0.017	2	109.5385	0.123	21	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,6|H<1>}	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	109.8000	0.000	1	109.8000	0.000	1	109.7130	0.015	2	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|C<3>,3|H<1>}	109.6260	0.000	1	109.6260	0.000	1	109.7130	0.015	2	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	109.6430	0.000	1	109.6430	0.000	1	109.8256	0.055	5	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	110.0320	0.245	2	110.0320	0.060	2	109.8256	0.055	5	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	109.6290	0.000	1	109.6290	0.000	1	109.8256	0.055	5	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>,2|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]O){2|Cl<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	109.7920	0.000	1	109.7920	0.000	1	109.8256	0.055	5	109.4969	0.244	104	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]C[5])(COO)	C[5,6a](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]C[5])(COO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	110.3760	0.000	1	110.3760	0.000	1	110.3760	0.000	1	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]N[6])(CCO)	C[5,6a](C[5,5,6]C[5,6]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]N[6])(CCO){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5,6]C[5,6]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	109.7860	0.000	1	109.7860	0.000	1	109.7860	0.000	1	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(COO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(COO){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	109.3660	0.000	1	109.3660	0.000	1	109.3660	0.000	1	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[4,5]C[3,4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[3,4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.5460	0.000	1	109.5460	0.000	1	109.7190	0.132	17	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	109.7250	0.000	1	109.9140	0.071	2	109.7190	0.132	17	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	110.1030	0.000	1	109.9140	0.071	2	109.7190	0.132	17	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	109.6847	0.222	3	109.6669	0.076	12	109.7190	0.132	17	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	109.5730	0.000	1	109.6669	0.076	12	109.7190	0.132	17	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	109.0840	0.000	1	109.6669	0.076	12	109.7190	0.132	17	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	109.7308	0.284	4	109.6669	0.076	12	109.7190	0.132	17	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.8145	0.279	2	109.6669	0.076	12	109.7190	0.132	17	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.7400	0.000	1	109.6669	0.076	12	109.7190	0.132	17	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	110.6280	0.000	1	109.9230	0.994	2	109.7190	0.132	17	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.2180	0.000	1	109.9230	0.994	2	109.7190	0.132	17	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	109.7222	0.324	5	109.7222	0.105	5	109.4906	0.083	16	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	109.2640	0.000	1	109.2640	0.000	1	109.4906	0.083	16	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	109.3730	0.000	1	109.3730	0.000	1	109.4906	0.083	16	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	109.3470	0.000	1	109.3949	0.041	7	109.4906	0.083	16	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	109.4300	0.304	2	109.3949	0.041	7	109.4906	0.083	16	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	109.1340	0.000	1	109.3949	0.041	7	109.4906	0.083	16	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,7|C<3>}	109.3180	0.000	1	109.3949	0.041	7	109.4906	0.083	16	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	109.4410	0.000	1	109.3949	0.041	7	109.4906	0.083	16	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	109.6640	0.000	1	109.3949	0.041	7	109.4906	0.083	16	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	109.1190	0.000	1	109.1190	0.000	1	109.4906	0.083	16	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	109.7180	0.000	1	109.7180	0.000	1	109.4906	0.083	16	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	109.6935	0.286	2	109.6017	0.066	3	109.6017	0.066	3	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.4180	0.000	1	109.6017	0.066	3	109.6017	0.066	3	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCH)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	109.7130	0.000	1	109.7130	0.000	1	109.8061	0.344	14	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	109.9235	0.292	2	109.9170	0.079	4	109.8061	0.344	14	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	109.6340	0.000	1	109.9170	0.079	4	109.8061	0.344	14	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	110.1870	0.000	1	109.9170	0.079	4	109.8061	0.344	14	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHO)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	110.0025	0.326	2	110.0025	0.106	2	109.8061	0.344	14	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	109.8140	0.000	1	109.4050	0.196	5	109.8061	0.344	14	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	108.7000	0.000	1	109.4050	0.196	5	109.8061	0.344	14	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	109.5037	0.212	3	109.4050	0.196	5	109.8061	0.344	14	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	111.3350	0.000	1	110.4375	1.611	2	109.8061	0.344	14	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	109.5400	0.000	1	110.4375	1.611	2	109.8061	0.344	14	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5,6]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CC[6a]O)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5,6]C){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CC[6a]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	109.8990	0.000	1	109.8990	0.000	1	109.8990	0.000	1	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:B[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]B[5,5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,5]B[5,5]C[5]Si)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]B[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,5]C[5])(C[6a]C[6a]2){2|Si<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]B[5,5]C[5]Si)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<3>,1|C<4>,2|H<1>,3|C<3>}	111.0800	0.000	1	111.0800	0.000	1	111.0800	0.000	1	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	109.6305	0.455	2	109.6305	0.207	2	109.6305	0.207	2	109.7162	0.218	58	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	106.6790	0.000	1	106.6790	0.000	1	107.0608	0.469	10	107.0338	0.430	11	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	106.8990	0.000	1	106.6590	0.053	3	107.0608	0.469	10	107.0338	0.430	11	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	106.5390	0.140	2	106.6590	0.053	3	107.0608	0.469	10	107.0338	0.430	11	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	107.6202	0.338	5	107.6202	0.115	5	107.0608	0.469	10	107.0338	0.430	11	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,2|N<3>}	105.8510	0.000	1	105.8510	0.000	1	107.0608	0.469	10	107.0338	0.430	11	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]Cl)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CH3){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(C[5]N[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	106.7640	0.000	1	106.7640	0.000	1	106.7640	0.000	1	107.0338	0.430	11	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]2H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	113.4708	0.501	6	113.4708	0.251	6	113.4490	0.185	8	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BN[5]HH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	113.3835	0.163	2	113.3835	0.027	2	113.4490	0.185	8	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	105.9560	0.000	1	105.9560	0.000	1	105.9670	0.000	2	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Re)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Re)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	105.9780	0.000	1	105.9780	0.000	1	105.9670	0.000	2	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	111.9800	0.000	1	111.9800	0.000	1	112.2753	0.093	3	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CC[6a]CH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	112.2570	0.000	1	112.2570	0.000	1	112.2753	0.093	3	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|P<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	112.5890	0.000	1	112.5890	0.000	1	112.2753	0.093	3	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	113.2400	0.000	1	113.2400	0.000	1	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	112.7710	0.000	1	112.7710	0.000	1	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	111.7140	0.000	1	112.1192	0.269	36	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	111.4950	0.000	1	112.1192	0.269	36	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	111.4623	0.214	3	112.1192	0.269	36	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	112.2010	0.499	29	112.1192	0.269	36	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	112.4335	0.339	2	112.1192	0.269	36	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	112.3310	0.000	1	112.3374	0.508	19	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	112.3377	0.733	18	112.3374	0.508	19	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	110.4836	1.606	5	110.4836	2.580	5	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(CC[6a]HH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	111.2330	0.000	1	111.2330	0.000	1	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ir)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ir)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	111.0595	0.169	2	111.0595	0.029	2	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	111.5670	0.000	1	111.5670	0.000	1	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	112.3023	0.408	7	112.3023	0.166	7	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	112.2113	0.320	4	112.0220	0.256	5	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<5>,1|C<3>,1|C<4>,2|H<1>}	111.2650	0.000	1	112.0220	0.256	5	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Pd)(CC[6a]HH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	111.5160	0.000	1	111.5160	0.000	1	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ru)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<8>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ru)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	111.0110	0.000	1	111.0110	0.000	1	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ru)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<7>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Ru)(CC[6a]HH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<7>,1|C<3>,1|C<4>,2|H<1>}	111.9370	0.000	1	111.9370	0.000	1	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	112.2400	0.325	2	111.9130	0.374	3	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	111.2590	0.000	1	111.9130	0.374	3	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]CH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|S<1>}	114.8830	0.000	1	114.8830	0.000	1	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CC[6a]HH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	112.8520	0.000	1	112.8520	0.000	1	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	112.1295	0.736	2	112.0407	0.306	6	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	111.9963	0.567	4	112.0407	0.306	6	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	112.3600	0.132	2	112.3600	0.017	2	112.0764	0.674	94	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	114.4960	0.000	1	114.1508	0.316	13	114.1508	0.316	13	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	114.1220	0.577	12	114.1508	0.316	13	114.1508	0.316	13	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Zn)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Zn<4>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Zn)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	105.9710	0.000	1	105.9710	0.000	1	106.6341	0.490	9	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Pt<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	107.0910	0.177	5	107.0910	0.031	5	106.6341	0.490	9	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Re)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Re<6>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Re<6>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]Re)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	106.0937	0.848	3	106.0937	0.720	3	106.6341	0.490	9	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(PRuOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(PRuOO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	112.3390	0.007	2	112.3390	0.000	2	112.3390	0.000	2	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(SC[6a]OO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	110.8930	0.870	2	110.8930	0.756	2	110.8930	0.756	2	111.8922	3.662	133	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]C)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]H)(CH3){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	106.6295	1.060	2	106.6295	1.124	2	106.6295	1.124	2	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-3:C[5,6a]-3:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(CH3){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	107.1300	0.000	1	107.1300	0.000	1	107.1300	0.000	1	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5,5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5,5])(CH3){1|Fe<10>,1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	106.7497	0.041	3	106.7497	0.002	3	107.5737	1.050	6	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(CCCH){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	107.6070	0.000	1	107.6070	0.000	1	107.5737	1.050	6	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CC[6a]HH){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>,2|N<2>}	108.4500	0.000	1	108.4500	0.000	1	107.5737	1.050	6	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(CH3){1|Cu<5>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.1360	0.000	1	109.1360	0.000	1	107.5737	1.050	6	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CCHH)	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Ga<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CCHH){1|Ga<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|N<3>}	106.6665	0.132	2	106.6665	0.017	2	106.7660	0.080	4	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CC[6a]HH)	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Ga<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])(CC[6a]HH){1|Ga<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|N<3>}	106.5620	0.000	1	106.5620	0.000	1	106.7660	0.080	4	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(CH3)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(CH3){1|H<1>,6|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	107.1690	0.000	1	107.1690	0.000	1	106.7660	0.080	4	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5,6]C){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,1|N<2>,2|O<1>,3|C<3>}	107.5230	0.000	1	107.5230	0.000	1	107.5327	0.384	4	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	106.9490	0.000	1	106.9490	0.000	1	107.5327	0.384	4	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,3|H<1>}	107.2660	0.000	1	107.2660	0.000	1	107.5327	0.384	4	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|O<1>,3|C<3>}	108.3930	0.000	1	108.3930	0.000	1	107.5327	0.384	4	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3)	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	108.8830	0.000	2	108.8830	0.000	2	108.5300	0.374	3	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(CCHH){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	107.8240	0.000	1	107.8240	0.000	1	108.5300	0.374	3	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(BC[6a]3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|B<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(BC[6a]3){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|B<4>,2|C<3>,2|H<1>}	107.8425	0.189	4	107.8425	0.036	4	107.5069	0.380	37	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BC[6a]2C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BC[6a]2C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,3|H<1>}	107.4660	0.000	1	107.4660	0.000	1	107.5069	0.380	37	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BC[6a]3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BC[6a]3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,3|H<1>}	107.6335	0.131	2	107.6335	0.017	2	107.5069	0.380	37	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BF3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|B<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(BF3){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|B<4>,1|C<3>,3|H<1>}	107.1510	0.194	2	107.1510	0.038	2	107.5069	0.380	37	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(BN[5]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|B<4>,1|C<3>,2|H<1>}	106.7689	0.243	11	106.7689	0.059	11	107.5069	0.380	37	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(BN[5]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|O<2>,2|H<1>}	107.7540	0.000	1	107.7540	0.000	1	107.5069	0.380	37	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(BN[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(BN[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|O<2>,2|H<1>}	108.1350	0.337	4	108.1350	0.113	4	107.5069	0.380	37	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<1>,2|H<1>}	108.0463	0.803	4	107.8533	0.262	10	107.5069	0.380	37	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]2H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	107.7247	0.189	6	107.8533	0.262	10	107.5069	0.380	37	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(BN[5]HH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	108.0330	0.315	2	108.0330	0.099	2	107.5069	0.380	37	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.8540	0.000	1	109.8540	0.000	1	109.5117	0.095	3	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	109.4220	0.000	1	109.4220	0.000	1	109.5117	0.095	3	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	109.2590	0.000	1	109.2590	0.000	1	109.5117	0.095	3	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	110.3260	0.061	2	110.3260	0.004	2	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]Cl)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|Cl<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]2){1|Cl<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>}	109.0190	0.000	1	109.0190	0.000	1	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	109.5910	0.000	1	109.5910	0.000	1	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.0365	0.077	2	109.0365	0.006	2	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	111.1330	0.000	1	111.1330	0.000	1	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]CH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	110.6090	0.000	1	110.6090	0.000	1	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	110.2850	0.008	2	110.2850	0.000	2	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	110.9315	0.368	2	110.9315	0.136	2	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	111.2190	0.000	1	111.2190	0.000	1	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.1400	0.243	2	110.1400	0.059	2	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.0960	0.000	1	111.0960	0.000	1	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.7200	0.407	2	110.7298	0.186	10	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.2380	0.649	2	110.7298	0.186	10	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCCH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.8970	0.294	6	110.7298	0.186	10	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.1880	0.093	3	110.1880	0.009	3	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.0350	0.000	1	109.8030	0.076	6	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	109.9260	0.000	1	109.8030	0.076	6	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.7142	0.305	4	109.8030	0.076	6	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.7980	0.000	1	109.7341	0.055	12	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.7283	0.245	11	109.7341	0.055	12	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.5045	0.342	2	110.7868	0.126	34	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.9210	0.205	7	110.7868	0.126	34	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	110.6610	0.189	3	110.7868	0.126	34	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	111.0930	0.245	2	110.7868	0.126	34	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.6362	0.278	17	110.7868	0.126	34	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.7700	0.561	3	110.7868	0.126	34	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.8010	0.000	1	110.8010	0.000	1	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	111.1420	0.000	1	110.7863	0.095	3	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.6085	0.032	2	110.7863	0.095	3	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]CH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	108.4830	0.000	1	108.4830	0.000	1	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<2>}	109.3560	0.000	1	109.3560	0.000	1	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.4260	0.000	1	109.7843	0.382	20	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.0933	0.288	3	109.7843	0.382	20	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	110.0300	0.000	1	109.7843	0.382	20	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.6555	0.639	13	109.7843	0.382	20	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.7135	1.105	2	109.7843	0.382	20	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.3830	0.000	1	110.1576	0.296	5	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.3247	0.460	3	110.1576	0.296	5	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.4310	0.000	1	110.1576	0.296	5	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.2330	0.000	1	110.8483	0.206	25	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	110.9765	0.443	2	110.8483	0.206	25	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	111.1400	0.000	1	110.8483	0.206	25	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	111.3120	0.842	3	110.8483	0.206	25	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.6395	0.408	10	110.8483	0.206	25	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.7177	0.283	4	110.8483	0.206	25	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.0203	0.134	3	110.8483	0.206	25	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.6190	0.000	1	110.8483	0.206	25	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	110.7460	0.000	1	110.7460	0.000	1	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.4910	0.000	1	109.4910	0.000	1	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.5900	0.455	2	109.5900	0.207	2	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	110.9930	0.000	1	111.4105	0.349	2	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.8280	0.000	1	111.4105	0.349	2	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	109.4530	0.000	1	109.4183	0.023	3	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	109.2520	0.000	1	109.4183	0.023	3	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	109.5500	0.000	1	109.4183	0.023	3	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.0990	0.000	1	109.6910	0.247	28	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	110.6900	0.000	1	109.6910	0.247	28	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.6434	0.474	24	109.6910	0.247	28	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.5590	0.501	2	109.6910	0.247	28	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.3440	0.792	3	110.3639	0.238	18	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.3563	0.328	13	110.3639	0.238	18	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	111.3020	0.000	1	110.3639	0.238	18	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.5840	0.000	1	110.3639	0.238	18	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.4340	0.000	1	111.0654	0.162	8	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.7968	0.159	5	111.0654	0.162	8	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.3730	0.000	1	111.0654	0.162	8	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.7320	0.000	1	111.0654	0.162	8	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.9720	0.000	1	109.9720	0.000	1	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHS){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	110.2620	0.000	1	110.2620	0.000	1	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CN[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CN[6]HH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.7080	0.000	1	110.7080	0.000	1	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(CCHH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	108.7750	0.000	1	108.7750	0.000	1	110.2924	0.489	204	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	106.3020	0.943	2	106.3020	0.890	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	106.1820	0.221	2	106.1820	0.049	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	106.3903	0.274	6	106.3920	0.069	10	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	106.3945	0.288	4	106.3920	0.069	10	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	105.8665	1.870	2	105.8665	3.498	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	105.9210	0.512	2	105.9210	0.262	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	105.9280	0.000	1	105.9280	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	106.6450	0.000	1	106.6450	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	106.5375	0.180	2	106.5375	0.033	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	106.3695	0.496	4	106.3695	0.246	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	106.3780	0.330	2	106.3780	0.109	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	106.0175	0.238	4	106.0175	0.057	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Re){1|C<4>,2|C<3>,2|H<1>}	105.1180	1.114	8	105.1180	1.241	8	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]C[5]){1|C<4>,2|H<1>,4|C<3>}	106.4300	0.000	1	106.4300	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	105.9300	0.163	4	105.9300	0.027	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|S<1>,2|C<4>}	107.1100	0.000	1	107.1100	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	106.4280	0.000	1	106.4280	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	106.4450	0.000	1	106.4450	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	106.6345	0.320	2	106.6345	0.103	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5])(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	106.5155	0.292	2	106.5155	0.085	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH){1|Cu<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	106.3590	0.000	1	106.3590	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	107.9590	0.216	2	107.9590	0.047	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]HH){1|Ir<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,2|C<3>,2|H<1>}	106.6580	0.629	2	106.6580	0.396	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	108.5570	0.745	4	108.7308	0.448	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	109.0785	0.460	2	108.7308	0.448	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|Mn<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<4>,2|C<3>,2|H<1>}	106.2050	0.252	2	106.2050	0.063	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|Rh<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|C<3>,2|C<4>,2|H<1>}	106.0600	0.000	1	106.0600	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Cd<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<4>,2|C<3>,2|H<1>}	106.3660	0.000	1	106.3660	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Co<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<4>,2|C<3>,2|H<1>}	106.6405	0.166	2	106.6405	0.028	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Cu<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<4>,2|C<3>,2|H<1>}	106.2020	0.000	1	106.2020	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cr<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr){1|C<4>,2|C<3>,2|H<1>}	106.7373	0.093	3	106.7373	0.009	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	107.0280	0.000	1	107.0280	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,3|C<3>}	107.0780	0.000	1	107.0900	0.000	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,2|C<3>,2|H<1>}	107.1020	0.000	1	107.0900	0.000	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<4>,2|C<3>,2|H<1>}	106.4120	0.000	1	106.4120	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CCHH){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<4>,2|C<3>,2|H<1>}	106.2655	0.199	2	106.2655	0.039	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6]HH){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<4>,2|C<3>,2|H<1>}	106.1370	0.392	2	106.1370	0.153	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Cd<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<4>,2|C<3>,2|H<1>}	106.1070	0.000	1	106.1070	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<4>,2|C<3>,2|H<1>}	106.5373	0.067	4	106.5373	0.004	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Hg<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<4>,2|C<3>,2|H<1>}	104.7330	0.000	1	104.7330	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Mn<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<4>,2|C<3>,2|H<1>}	105.7730	0.086	2	105.7730	0.007	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|H<1>,2|C<3>,2|C<4>}	107.7450	0.000	1	107.2690	0.453	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<4>,2|C<3>,2|H<1>}	106.7930	0.000	1	107.2690	0.453	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<4>,2|C<3>,2|H<1>}	105.8030	1.440	3	105.8030	2.074	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Sn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Sn<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Sn<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Sn){1|C<4>,2|C<3>,2|H<1>}	106.6285	0.131	2	106.6285	0.017	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<4>,2|C<3>,2|H<1>}	105.6960	0.006	2	105.9107	0.138	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CC[6a]HH){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|H<1>,2|C<3>,2|C<4>}	106.3400	0.000	1	105.9107	0.138	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Co<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<4>,2|C<3>,2|H<1>}	106.3207	0.466	3	106.3207	0.217	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cr<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr){1|C<4>,2|C<3>,2|H<1>}	106.9540	0.000	1	106.9540	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Fe<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<4>,2|C<3>,2|H<1>}	105.8680	0.573	2	106.3662	0.320	5	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<4>,2|C<3>,2|H<1>}	106.6983	0.251	3	106.3662	0.320	5	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	106.9245	0.333	2	106.9245	0.111	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,2|C<3>,2|H<1>}	106.0194	2.956	7	106.0194	8.738	7	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ni<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<4>,2|C<3>,2|H<1>}	106.5503	0.241	3	106.2191	0.199	8	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<4>,2|C<3>,2|H<1>}	106.0204	0.433	5	106.2191	0.199	8	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<4>,2|C<3>,2|H<1>}	106.6271	0.616	15	106.6271	0.380	15	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Ru<9>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<4>,2|C<3>,2|H<1>}	107.1380	0.000	1	107.1380	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Zn<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<4>,2|C<3>,2|H<1>}	106.5267	0.401	3	106.2994	0.112	7	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<4>,2|C<3>,2|H<1>}	106.1290	0.162	4	106.2994	0.112	7	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCCH){1|Zn<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<4>,2|C<3>,2|H<1>}	106.7330	0.000	1	106.7330	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pt){1|C<4>,2|H<1>,4|C<3>}	106.8730	0.000	1	106.8730	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Cu<3>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<4>,2|C<3>,2|H<1>}	106.0610	0.429	2	105.7906	0.074	8	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Cu<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<4>,2|C<3>,2|H<1>}	105.7005	0.169	6	105.7906	0.074	8	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	106.6650	0.000	1	106.3365	0.216	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	106.0080	0.000	1	106.3365	0.216	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Ir<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,2|C<3>,2|H<1>}	106.8522	0.470	4	106.5320	1.618	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Ir<8>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,3|C<3>}	105.8915	2.490	2	106.5320	1.618	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<9>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Os<9>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<4>,1|H<1>,3|C<3>}	106.7330	0.000	1	106.7330	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<4>,2|C<3>,2|H<1>}	106.4407	0.268	3	106.4407	0.072	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Ru<9>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<4>,1|H<1>,3|C<3>}	106.4890	0.000	1	106.4890	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Te)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Te<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Te<3>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Te){1|C<4>,2|C<3>,2|H<1>}	106.5480	0.049	2	106.5480	0.002	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH){1|Zn<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<4>,2|C<3>,2|H<1>}	105.9285	0.401	2	105.9285	0.161	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	106.2400	0.000	1	106.2400	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	106.4877	0.305	3	106.4877	0.093	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Ir<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,2|C<3>,2|H<1>}	107.4750	0.219	2	107.4750	0.048	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Re<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<4>,2|C<3>,2|H<1>}	105.7343	0.754	3	105.7343	0.568	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH){1|Rh<6>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|C<4>,2|C<3>,2|H<1>}	105.5780	0.000	1	105.5780	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<5>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Mn<5>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]Mn){1|C<4>,2|C<3>,2|H<1>}	106.0865	0.220	2	106.0865	0.048	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Ni<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]Ni){1|C<4>,2|C<3>,2|H<1>}	105.8762	0.162	4	105.8762	0.026	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	106.8095	0.612	2	106.7043	0.101	8	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	106.6692	0.245	6	106.7043	0.101	8	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Co<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<4>,2|C<3>,2|H<1>}	106.2935	0.209	2	106.2935	0.044	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Cu<5>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<4>,2|C<3>,2|H<1>}	106.5170	0.000	1	106.5170	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Fe<5>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<4>,2|C<3>,2|H<1>}	105.9620	0.000	1	105.9620	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	106.8340	0.016	2	106.8340	0.000	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3){1|Ir<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,2|C<3>,2|H<1>}	105.9321	0.638	8	105.9321	0.408	8	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Ga[4]N[5])(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Ga[4]N[5])(CCCH){1|C<4>,2|C<3>,2|H<1>,2|P<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	106.1497	0.178	3	106.1497	0.032	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Al)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Al)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	106.2205	0.101	4	106.2205	0.010	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	106.4480	0.256	2	106.4938	0.026	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	106.5395	0.073	2	106.4938	0.026	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	106.4611	0.180	15	106.4611	0.032	15	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	106.5667	0.245	4	106.8124	0.097	19	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	106.8779	0.301	15	106.8124	0.097	19	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]As)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|As<1>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|As<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]As){1|C<3>,2|C<4>,2|H<1>}	107.5815	0.650	2	107.5815	0.422	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	106.5879	0.199	11	106.5255	0.259	20	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	106.4492	0.745	9	106.5255	0.259	20	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cd<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,2|C<4>,2|H<1>}	105.9935	0.221	4	105.6970	0.243	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<8>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cd<8>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,2|C<4>,2|H<1>}	105.1040	0.124	2	105.6970	0.243	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,2|C<4>,2|H<1>}	105.5600	0.000	1	105.5600	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cu<3>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	105.9443	0.136	3	105.9974	0.019	5	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	106.0770	0.130	2	105.9974	0.019	5	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Fe<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,2|C<4>,2|H<1>}	105.8811	0.210	8	105.8665	0.106	12	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Fe<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,2|C<4>,2|H<1>}	105.8372	0.533	4	105.8665	0.106	12	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<1>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Ge<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<3>,2|C<4>,2|H<1>}	106.8220	0.000	1	106.7387	0.013	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Ge<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<3>,2|C<4>,2|H<1>}	106.6970	0.123	2	106.7387	0.013	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	106.8600	0.000	1	106.6625	0.078	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	106.4650	0.000	1	106.6625	0.078	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Ni<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,2|C<4>,2|H<1>}	106.3275	0.234	2	106.3275	0.055	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]P)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,2|C<4>,2|H<1>}	106.9283	0.264	3	106.9283	0.070	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,2|C<4>,2|H<1>}	106.6133	0.095	3	106.6133	0.009	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	106.4230	0.000	1	106.4230	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	106.6366	0.225	5	106.6366	0.051	5	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Cd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,2|C<4>,2|H<1>}	105.4980	0.154	2	105.6387	0.082	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Cd<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,2|C<4>,2|H<1>}	105.7090	0.331	4	105.6387	0.082	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	107.0335	0.274	2	107.0335	0.075	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Hg<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<3>,2|C<4>,2|H<1>}	106.2285	0.419	2	106.2285	0.176	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,2|C<4>,2|H<1>}	106.0940	0.939	2	106.0940	0.882	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]HH){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,2|C<4>,2|H<1>}	105.9440	0.393	3	105.9440	0.154	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ag<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Ag<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){1|C<3>,2|C<4>,2|H<1>}	105.9027	0.357	8	105.9027	0.128	8	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	106.8147	0.184	6	106.8761	0.154	34	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	106.8893	0.425	28	106.8761	0.154	34	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	106.4645	0.584	8	106.4290	0.274	10	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	106.2870	0.174	2	106.4290	0.274	10	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Fe<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,2|C<4>,2|H<1>}	105.8277	0.599	9	105.9576	0.370	11	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<7>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Fe<7>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,2|C<4>,2|H<1>}	106.5425	0.012	2	105.9576	0.370	11	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	106.7300	0.000	1	106.6263	0.048	7	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	106.3830	0.010	2	106.6263	0.048	7	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	106.7220	0.200	4	106.6263	0.048	7	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,2|C<4>,2|H<1>}	106.1172	0.431	16	106.1172	0.186	16	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Ni<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,2|C<4>,2|H<1>}	105.8635	0.552	2	106.0325	0.225	11	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,2|C<4>,2|H<1>}	106.0700	0.484	9	106.0325	0.225	11	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|Re<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,2|C<4>,2|H<1>}	106.3650	0.031	2	106.3650	0.001	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH){1|Hg<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<3>,2|C<4>,2|H<1>}	105.5070	0.000	1	105.5070	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CN[5a]HH){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,2|C<4>,2|H<1>}	105.1970	0.000	1	105.1970	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	106.1797	0.202	8	106.1797	0.041	8	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	106.1172	0.348	6	106.1172	0.121	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<2>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<2>,1|C<3>,1|C<4>,2|H<1>}	105.9265	0.234	2	106.0238	0.063	12	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	105.9725	0.306	6	106.0238	0.063	12	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	106.1495	0.150	4	106.0238	0.063	12	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Cu)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	106.1070	0.102	2	106.1070	0.010	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	106.5195	0.300	18	106.5195	0.090	18	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	106.5290	0.372	122	106.5290	0.139	122	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	105.8990	0.000	1	105.9047	0.061	7	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	105.9057	0.271	6	105.9047	0.061	7	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	105.2750	0.000	1	105.2750	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	106.5647	0.528	3	106.5647	0.279	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Ni<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|C<4>,3|H<1>}	105.6225	0.115	2	105.6225	0.013	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|C<4>,3|H<1>}	106.0060	0.000	1	106.0060	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Pt<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|C<4>,3|H<1>}	105.5825	0.185	4	105.5825	0.034	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,2|C<4>,2|H<1>}	105.8970	0.100	2	105.6847	0.442	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|Ru<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	105.4725	1.066	2	105.6847	0.442	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	106.7450	0.000	1	106.7450	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	106.4795	0.136	2	106.4795	0.019	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	106.7840	0.547	2	106.7840	0.300	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]2H){1|Ru<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,2|C<4>,2|H<1>}	106.2900	0.000	1	106.0320	0.133	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]2H){1|Ru<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	105.7740	0.000	1	106.0320	0.133	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	106.2630	0.000	1	106.2630	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Ag<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){1|C<3>,2|C<4>,2|H<1>}	105.4290	0.000	1	105.4290	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	106.6792	0.370	4	106.6030	0.168	69	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	106.6042	0.429	60	106.6030	0.168	69	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	106.5284	0.155	5	106.6030	0.168	69	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Cd<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,1|C<4>,3|H<1>}	105.6095	0.128	4	105.6095	0.016	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	105.8280	0.048	2	105.8280	0.002	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	104.8750	0.000	1	104.8750	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	106.2257	0.217	11	106.2257	0.047	11	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Hg<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<3>,1|C<4>,3|H<1>}	104.7814	1.038	5	104.7814	1.077	5	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|C<4>,3|H<1>}	105.9625	0.421	2	105.9625	0.177	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,2|C<4>,2|H<1>}	105.4522	0.297	6	105.9781	0.418	22	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,1|C<4>,3|H<1>}	106.1753	0.636	16	105.9781	0.418	22	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,3|H<1>}	105.7235	0.302	6	105.7235	0.091	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,3|H<1>}	106.3517	0.194	3	106.3517	0.037	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	106.5147	0.189	14	106.5309	0.037	15	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	106.7570	0.000	1	106.5309	0.037	15	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	106.1550	0.047	2	106.1550	0.002	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	105.7500	0.112	2	105.7500	0.012	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Os<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<3>,1|C<4>,3|H<1>}	106.5290	0.154	2	106.5290	0.024	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,2|C<4>,2|H<1>}	106.2600	0.000	1	106.4690	0.087	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	106.6780	0.000	1	106.4690	0.087	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Zn<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,3|H<1>}	105.6540	0.000	1	105.6540	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	106.4140	0.000	1	106.4140	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	106.5213	0.024	4	106.5213	0.001	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	106.5370	0.152	3	106.5370	0.023	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CSiHH){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	105.6990	0.740	2	105.6990	0.547	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	105.7702	1.122	6	105.7702	1.259	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Ir<4>,1|C<3>,2|H<1>,3|C<4>}	106.7725	0.838	2	106.7530	0.352	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Ir<6>,1|C<3>,2|H<1>,3|C<4>}	106.7140	0.000	1	106.7530	0.352	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	106.1123	0.524	4	106.1357	0.204	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<9>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<9>,1|C<3>,1|C<4>,2|H<1>}	106.1825	0.433	2	106.1357	0.204	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	106.4845	0.037	2	106.4845	0.001	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6,6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	106.9375	1.526	4	106.9375	2.327	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	106.5910	0.307	4	106.5910	0.094	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Ir<4>,1|C<3>,2|H<1>,3|C<4>}	105.9960	0.000	1	106.3290	0.203	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Ir<6>,1|C<3>,2|H<1>,3|C<4>}	106.4955	0.490	2	106.3290	0.203	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<3>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<3>,1|C<3>,1|C<4>,2|H<1>}	106.8340	1.044	2	106.6069	0.574	15	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<4>,1|C<3>,1|C<4>,2|H<1>}	106.2125	0.363	2	106.6069	0.574	15	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	106.9820	1.277	2	106.6069	0.574	15	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	106.4947	0.440	4	106.6069	0.574	15	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	107.2990	0.000	1	106.6069	0.574	15	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	106.4420	1.045	4	106.6069	0.574	15	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	106.0930	0.000	1	106.0930	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	106.3430	0.000	1	106.3430	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	107.0228	0.146	4	107.0228	0.021	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCCH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	106.6520	0.000	1	106.6520	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	107.5500	0.000	1	107.5500	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	106.8542	0.390	4	106.8542	0.152	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	106.8983	0.166	4	106.8983	0.028	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	107.1400	0.000	1	107.1400	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	108.0570	0.000	1	108.0570	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	106.1178	0.349	11	106.1178	0.121	11	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	106.4236	0.471	16	106.3907	0.211	18	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<7>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<7>,1|C<3>,1|C<4>,2|H<1>}	106.1280	0.307	2	106.3907	0.211	18	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	105.8590	0.556	2	105.8590	0.309	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	105.5595	0.100	2	105.5595	0.010	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6a]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	105.8183	0.805	3	105.8183	0.648	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	106.4515	0.432	13	106.4515	0.187	13	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|B<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	106.0881	0.231	10	106.0881	0.054	10	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	106.5900	0.271	7	106.5900	0.073	7	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	106.4530	0.407	2	106.4530	0.166	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CN[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CN[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	105.6188	0.488	5	105.6188	0.238	5	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	106.4406	0.213	5	106.4406	0.046	5	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<2>,2|H<1>}	106.6803	0.154	4	106.6803	0.024	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<2>,2|H<1>}	106.7207	0.244	15	106.7190	0.055	17	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	106.7065	0.202	2	106.7190	0.055	17	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	106.3117	0.505	106	106.3117	0.255	106	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	106.2546	0.495	51	106.2546	0.245	51	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	106.3470	0.576	2	106.2506	0.138	5	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	106.1863	0.309	3	106.2506	0.138	5	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	105.9005	0.128	2	105.8660	0.012	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,1|C<4>,2|H<1>}	105.7970	0.000	1	105.8660	0.012	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	105.4705	0.262	2	105.4705	0.069	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	106.3644	0.577	31	106.3359	0.326	36	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	106.1592	0.563	5	106.3359	0.326	36	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	106.3082	0.545	38	106.3346	0.277	42	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	106.4910	0.065	2	106.3346	0.277	42	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	106.8270	0.000	1	106.3346	0.277	42	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,1|C<4>,2|H<1>}	106.5310	0.000	1	106.3346	0.277	42	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	106.2593	0.374	3	106.2593	0.140	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	106.2665	0.052	4	106.2665	0.003	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	106.4536	0.567	7	106.4536	0.322	7	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	106.1809	0.564	25	106.1809	0.318	25	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	106.1080	0.000	1	106.1080	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[6a]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	106.6990	0.000	1	106.6990	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	106.6278	1.781	13	106.6278	3.171	13	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	106.7598	0.488	10	106.7598	0.238	10	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	106.6030	0.000	1	106.6030	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CHHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CHHS){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	105.9660	0.000	1	105.9660	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CC[6a]HH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	106.2488	0.376	4	106.2488	0.142	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	105.9515	0.420	6	105.9515	0.176	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	106.2490	0.437	2	106.2490	0.191	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6,6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	106.6730	0.320	3	106.6730	0.103	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	106.3983	0.118	3	106.2300	0.070	7	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	106.1037	0.285	4	106.2300	0.070	7	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	105.9590	0.000	1	106.5217	0.295	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<8>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<8>,1|C<3>,1|C<4>,2|H<1>}	106.8030	0.338	2	106.5217	0.295	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	106.1422	0.184	6	106.1422	0.034	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	106.3998	0.694	5	106.3998	0.481	5	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	106.6800	0.000	1	106.2645	0.350	15	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	106.5423	0.435	6	106.2645	0.350	15	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	107.0200	0.000	1	106.2645	0.350	15	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	105.8590	0.516	7	106.2645	0.350	15	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|Ru<8>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	105.2475	0.042	2	105.2475	0.002	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<4>,1|Ru<8>,1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|Fe<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	105.3045	0.206	2	105.3045	0.042	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|H<1>,2|C<4>}	105.8345	0.019	2	106.3225	0.147	8	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	106.5012	0.311	5	106.3225	0.147	8	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	106.4050	0.000	1	106.3225	0.147	8	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	105.7491	0.336	7	105.8871	0.130	10	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	106.2090	0.154	3	105.8871	0.130	10	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	106.4104	0.162	8	106.4104	0.026	8	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CF3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CF3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	105.1690	0.000	1	105.1690	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	107.5130	0.000	1	107.0990	0.343	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	106.6850	0.000	1	107.0990	0.343	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CHHP){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	104.7320	0.000	1	104.7320	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	105.4390	0.000	1	105.4390	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	106.3360	0.000	1	106.3360	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	106.9750	0.122	2	106.9205	0.029	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	106.8932	0.200	4	106.9205	0.029	6	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	106.8154	0.106	5	106.7691	0.045	9	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	106.7113	0.313	4	106.7691	0.045	9	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	106.4360	0.000	1	106.4360	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	106.9870	0.000	1	106.9870	0.000	1	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	107.6960	0.673	4	107.6960	0.453	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[6a]HH){1|Re<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	106.7850	0.637	4	106.7850	0.406	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	106.4667	0.190	3	106.3478	0.032	9	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	106.2883	0.156	6	106.3478	0.032	9	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	106.6810	0.064	2	106.6810	0.004	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	105.8970	0.074	2	105.8970	0.005	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CHHS){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	106.2020	0.925	2	106.2020	0.855	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	105.5060	0.830	2	105.5060	0.689	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	107.4970	0.546	3	106.9688	0.174	15	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	106.8367	0.268	12	106.9688	0.174	15	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	106.7280	0.833	10	106.8131	0.333	30	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	106.8556	0.417	20	106.8131	0.333	30	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	107.1183	0.350	4	107.1183	0.122	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	105.2005	0.146	2	105.2005	0.021	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	106.5438	0.901	5	106.8090	0.854	7	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	107.4720	0.805	2	106.8090	0.854	7	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	106.5840	0.000	1	106.4165	0.133	10	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	106.3979	0.382	9	106.4165	0.133	10	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CHHS){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	105.1775	1.513	2	105.1775	2.288	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CSeHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	106.0975	0.496	2	106.0975	0.246	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<5>,1|Si<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH){1|Ni<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	105.6730	0.292	3	105.6730	0.085	3	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Si<4>,1|Zn<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CCCH){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	105.6683	0.317	12	105.6683	0.101	12	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	106.5650	0.288	2	106.5650	0.083	2	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|Ru<7>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6]HH){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|Ru<7>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	106.6035	0.313	4	106.6035	0.098	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|Ru<7>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]C){1|Ru<7>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	106.6617	0.324	4	106.6617	0.105	4	106.3685	0.417	1494	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Cu)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	112.4152	0.237	5	112.4152	0.056	5	112.4152	0.056	5	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	106.5184	0.096	8	106.6349	0.081	10	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	107.1010	0.346	2	106.6349	0.081	10	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Fe<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.8705	1.965	2	107.8705	3.861	2	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Fe<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.6610	0.000	1	107.6610	0.000	1	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Fe<4>,1|C<4>,2|H<1>,3|C<3>}	106.2709	0.211	8	106.5645	0.458	11	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<8>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Fe<8>,1|C<4>,2|H<1>,3|C<3>}	107.3473	0.934	3	106.5645	0.458	11	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	106.4740	0.000	1	106.4740	0.000	1	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	107.3335	0.036	2	107.0508	0.054	8	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	107.0393	0.129	3	107.0508	0.054	8	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	106.8737	0.207	3	107.0508	0.054	8	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	106.9390	0.216	2	106.9390	0.047	2	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	107.2690	0.000	1	107.2690	0.000	1	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	107.0410	0.000	1	106.7383	0.082	3	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	106.7040	0.000	1	106.7383	0.082	3	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	106.4700	0.000	1	106.7383	0.082	3	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.4000	0.000	1	107.4000	0.000	1	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ir<6>,1|C<3>,2|H<1>,4|C<4>}	106.2553	0.131	3	106.2553	0.017	3	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,2|H<1>,3|C<3>}	106.8378	0.301	6	106.7824	0.065	9	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,2|C<4>,3|C<3>}	106.6505	0.094	2	106.7824	0.065	9	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|C<4>,2|H<1>,3|C<3>}	106.7140	0.000	1	106.7824	0.065	9	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.5970	0.761	2	107.5970	0.579	2	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,2|H<1>,3|C<3>}	106.9508	0.543	15	106.9508	0.295	15	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	107.2330	0.000	1	107.2410	0.000	2	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.2490	0.000	1	107.2410	0.000	2	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(CC[5]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ni<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	106.5440	0.017	2	106.5440	0.000	2	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<6>,1|C<4>,2|H<1>,3|C<3>}	107.5320	0.000	1	107.5320	0.000	1	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<6>,1|H<1>,2|C<4>,3|C<3>}	107.5370	0.000	1	107.2911	0.147	12	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<6>,1|C<4>,2|H<1>,3|C<3>}	107.3148	0.539	5	107.2911	0.147	12	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<7>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<7>,1|C<4>,2|H<1>,3|C<3>}	107.1802	0.271	5	107.2911	0.147	12	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<8>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<8>,1|H<1>,2|C<4>,3|C<3>}	107.4810	0.000	1	107.2911	0.147	12	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|H<1>,4|C<4>}	106.6070	0.000	1	106.6070	0.000	1	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	107.2875	0.019	2	107.2875	0.000	2	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	107.8430	0.000	1	107.8430	0.000	1	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|C<4>,3|H<1>}	106.6125	0.390	2	106.9963	0.518	3	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.7640	0.000	1	106.9963	0.518	3	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	106.7048	0.756	6	106.7048	0.571	6	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	106.8805	0.875	4	106.8805	0.765	4	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	106.9815	0.613	8	106.8802	0.371	10	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<5>,1|C<4>,2|H<1>,3|C<3>}	106.0880	0.000	1	106.8802	0.371	10	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<7>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<7>,1|C<4>,2|H<1>,3|C<3>}	106.8620	0.000	1	106.8802	0.371	10	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	106.8790	0.000	1	106.8790	0.000	1	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	106.8250	0.000	1	107.0290	0.151	3	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.1310	0.489	2	107.0290	0.151	3	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Rh<6>,1|C<4>,2|H<1>,3|C<3>}	106.5745	0.572	2	106.5745	0.327	2	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CF3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CF3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Rh<6>,1|C<4>,2|H<1>,3|C<3>}	105.3300	0.000	1	105.3300	0.000	1	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6,6]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6,6]C[5])(C[6a]C[6a]H){1|Rh<6>,1|C<3>,3|C<4>,3|H<1>}	106.4815	0.401	2	106.4815	0.161	2	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCCH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|H<1>,2|C<4>,3|C<3>}	108.2690	1.490	3	108.2690	2.221	3	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.2887	0.511	4	107.2887	0.261	4	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	106.6980	0.000	1	106.6980	0.000	1	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,2|H<1>,3|C<3>}	106.4910	0.000	1	106.4910	0.000	1	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.7680	0.000	1	107.7680	0.000	1	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	107.1780	0.000	1	107.1095	0.009	2	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,2|H<1>,3|C<3>}	107.0410	0.000	1	107.1095	0.009	2	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|S<1>,3|C<4>,3|H<1>}	106.3780	0.243	2	106.3780	0.059	2	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(CF3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,3|C<3>}	105.5570	0.256	4	105.5570	0.065	4	106.8968	0.449	140	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	105.9780	0.000	1	105.9780	0.000	1	106.7349	0.552	14	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	107.7400	0.000	1	107.7400	0.000	1	106.7349	0.552	14	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]HH){1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	106.7280	0.000	1	106.7280	0.000	1	106.7349	0.552	14	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	105.5270	0.000	1	105.5270	0.000	1	106.7349	0.552	14	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	107.4990	0.000	2	107.4990	0.000	2	106.7349	0.552	14	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]Cu)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|Cu<5>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]Cu){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	106.0040	0.552	2	106.0040	0.304	2	106.7349	0.552	14	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	106.9745	1.166	2	106.8565	0.482	4	106.7349	0.552	14	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	106.7385	0.175	2	106.8565	0.482	4	106.7349	0.552	14	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(CH3){1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Pt<4>,1|C<4>,1|N<3>,2|O<1>}	106.9420	0.000	1	106.9420	0.000	1	106.7349	0.552	14	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Rh<6>,1|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)(CH3){1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Rh<6>,1|C<4>,1|N<3>,2|O<1>}	106.9420	0.000	1	106.9420	0.000	1	106.7349	0.552	14	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]C[5]H){1|C<4>,2|H<1>,4|C<3>}	105.9600	0.000	1	105.9600	0.000	1	105.9600	0.000	1	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:Ga-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga){1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(GaN[5]CC){1|Ga<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga){1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	107.6150	0.317	2	107.6150	0.100	2	107.7825	0.444	6	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:Ga-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga){1|Ga<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaN[5]CC){1|Ga<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga){1|Ga<4>,1|C<3>,3|H<1>}	107.8662	0.824	4	107.8662	0.678	4	107.7825	0.444	6	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	106.1000	0.000	1	106.1000	0.000	1	106.1000	0.000	1	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|C<3>,1|S<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Si<4>,1|C<3>,1|S<1>,2|H<1>}	107.1745	0.162	2	107.1745	0.026	2	107.4748	0.137	4	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|Si<4>,1|C<3>,1|S<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3){1|Si<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|Si<4>,1|C<3>,1|S<1>,2|H<1>}	107.7750	0.160	2	107.7750	0.026	2	107.4748	0.137	4	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:B-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Mg)(BN[5]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B){1|Mg<4>,2|C<3>,2|F<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Mg)(BN[5]2H){1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]F){1|Mg<4>,1|B<4>,2|F<1>,3|C<3>}	108.3031	0.150	9	108.3031	0.023	9	108.3031	0.023	9	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:B-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(BN[5]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]N[5]B){1|Cu<4>,1|C<3>,1|C<4>,2|F<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(BN[5]2H){1|C<4>,1|F<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(C[5]N[5]C){1|Cu<4>,1|B<4>,1|C<3>,2|F<1>}	108.2277	0.273	3	108.2277	0.074	3	108.0533	0.342	8	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:B-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(BN[5]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B){1|Fe<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(BN[5]2H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<6>,1|B<4>,1|C<3>,2|H<1>}	108.3697	0.336	3	108.3697	0.113	3	108.0533	0.342	8	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:B-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Rh)(BN[5]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B){1|Rh<9>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Rh)(BN[5]2H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<9>,1|B<4>,1|C<3>,2|H<1>}	107.3170	0.740	2	107.3170	0.547	2	108.0533	0.342	8	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Pd){1|C<3>,2|C<4>,2|H<1>}	108.7740	0.354	2	108.7740	0.125	2	107.4162	1.564	23	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|C<4>,2|H<1>}	107.9830	0.000	1	107.9830	0.000	1	107.4162	1.564	23	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Pd){1|C<3>,2|C<4>,2|H<1>}	107.9710	0.177	3	107.9710	0.032	3	107.4162	1.564	23	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|Rh<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<3>,2|C<4>,2|H<1>}	107.6950	0.000	1	107.6950	0.000	1	107.4162	1.564	23	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	107.2900	0.000	1	107.2900	0.000	1	107.4162	1.564	23	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(CN[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(CN[5]HH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	106.4507	0.364	4	106.4507	0.133	4	107.4162	1.564	23	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(CN[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Cu<5>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(CN[5]HH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	106.3125	0.264	2	106.3125	0.070	2	107.4162	1.564	23	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(CN[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ni)(CN[5]HH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	106.8910	0.536	2	106.8910	0.287	2	107.4162	1.564	23	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(CH3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	107.0490	0.000	1	107.0490	0.000	1	107.4162	1.564	23	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(CN[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Pd)(CN[5]HH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	106.6935	0.287	4	106.6935	0.083	4	107.4162	1.564	23	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(CCCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(CCCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	108.4250	0.000	1	108.4250	0.000	1	107.4162	1.564	23	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3){1|Rh<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<4>,2|C<3>,2|H<1>}	111.6860	0.000	1	111.6860	0.000	1	107.4162	1.564	23	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){2|Cu<4>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CCHH){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	104.0940	0.000	1	104.0940	0.000	1	105.3468	1.018	6	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){2|Cu<5>,1|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Cu)(CC[6]HH){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	104.2640	0.000	1	104.2640	0.000	1	105.3468	1.018	6	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ni)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ni)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<5>,1|C<3>,1|C<4>,2|H<1>}	105.9307	0.572	4	105.9307	0.328	4	105.3468	1.018	6	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5,5]-3:C-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(CH3)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	111.8875	0.299	2	111.8875	0.089	2	111.8875	0.089	2	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]N)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	111.2690	0.000	1	111.2690	0.000	1	111.2690	0.000	1	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	107.7590	0.000	1	107.7590	0.000	1	107.9195	0.052	2	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CC[6a]HH)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	108.0800	0.000	1	108.0800	0.000	1	107.9195	0.052	2	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CN){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	112.0350	0.000	1	112.0350	0.000	1	111.6893	0.950	3	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	112.4440	0.000	1	112.4440	0.000	1	111.6893	0.950	3	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|N<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HO){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	110.5890	0.000	1	110.5890	0.000	1	111.6893	0.950	3	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,4|H<1>}	108.5740	0.000	1	108.5740	0.000	1	108.5740	0.000	1	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	108.3650	0.000	1	108.3650	0.000	1	107.6436	0.983	8	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	107.2638	1.041	4	107.2638	1.083	4	107.6436	0.983	8	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Ru<6>,1|H<1>,1|N<3>,2|O<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|Ru<6>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]Ru){1|C<3>,1|H<1>,3|C<4>}	109.1340	0.000	1	109.1340	0.000	1	107.6436	0.983	8	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Pt)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Pt<4>,1|C<4>,1|N<3>,2|O<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Pt)(CH3){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Pt<4>,1|C<3>,3|C<4>}	107.1100	0.000	1	107.1100	0.000	1	107.6436	0.983	8	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Rh)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Rh<6>,1|C<4>,1|N<3>,2|O<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]Rh)(CH3){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]C){1|Rh<6>,1|C<3>,3|C<4>}	107.4850	0.000	1	107.4850	0.000	1	107.6436	0.983	8	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]N[6a]N[5])(N[5]C[6a]C[5])(C[6a]N[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(CH3){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[5]C[6a]C[5])(C[6a]N[6a]O){1|H<1>,3|C<3>,3|C<4>}	108.2510	0.000	1	108.2510	0.000	1	108.2510	0.000	1	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCHH){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	106.5690	0.563	2	106.5690	0.317	2	106.4787	0.491	10	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Ir)(CCHH)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Ir)(CCHH){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,4|C<3>}	106.2230	0.634	2	106.2230	0.401	2	106.4787	0.491	10	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Pt)(CH3)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Pt<4>,1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Pt)(CH3){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Pt<4>,1|C<4>,1|H<1>,4|C<3>}	106.7540	0.800	2	106.7540	0.641	2	106.4787	0.491	10	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Ir)(CCHH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]Ir)(CCHH){1|C<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,4|C<3>}	106.4237	0.957	4	106.4237	0.916	4	106.4787	0.491	10	106.9157	2.022	2004	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]3){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<3>,3|H<1>}	108.7480	0.000	1	108.7480	0.000	1	108.7480	0.000	1	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3){1|C<4>,1|N<2>,1|O<1>,2|C<2>,2|H<1>,4|C<3>}	109.3760	0.000	1	109.3760	0.000	1	109.3760	0.000	1	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	108.4270	0.000	1	108.4270	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.8710	0.000	1	109.8710	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	108.6980	0.000	1	108.6815	0.001	2	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	108.6650	0.000	1	108.6815	0.001	2	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	108.6450	0.000	1	108.6450	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	108.9720	0.000	1	108.9720	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	109.5530	0.000	1	109.5530	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|F<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	110.3140	0.059	2	110.3140	0.004	2	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	110.6575	0.071	2	110.6575	0.005	2	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|C<4>,2|H<1>}	107.6502	0.701	4	108.5814	0.719	35	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.2800	0.000	1	108.5814	0.719	35	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	109.1890	0.196	3	108.5814	0.719	35	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	108.6630	0.833	27	108.5814	0.719	35	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	108.6208	0.473	4	108.6208	0.223	4	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){2|C<4>,2|H<1>,3|C<3>}	109.8460	0.000	1	109.8460	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|C<4>,2|H<1>}	107.5875	0.127	2	108.2679	0.250	41	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	108.8460	0.007	2	108.2679	0.250	41	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	108.2734	0.482	37	108.2679	0.250	41	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	109.5440	0.000	1	109.5440	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	109.3070	0.000	1	109.3070	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	109.3890	0.000	1	109.3890	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	109.9270	0.000	1	109.9270	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.7550	0.000	1	109.7550	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.9970	0.000	1	109.9970	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	110.0510	0.385	2	109.7120	0.419	3	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.0340	0.000	1	109.7120	0.419	3	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.2090	0.000	1	110.2090	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.1040	0.562	3	110.1040	0.316	3	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.5980	0.000	1	109.6415	0.004	2	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	109.6850	0.000	1	109.6415	0.004	2	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.8625	0.029	2	109.8625	0.001	2	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.3690	0.000	1	110.3690	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.1670	0.000	1	110.1670	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.5195	0.008	2	110.4567	0.012	3	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.3310	0.000	1	110.4567	0.012	3	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.4680	0.000	1	110.4680	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	110.3450	0.000	1	109.8126	0.132	5	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	109.6750	0.000	1	109.8126	0.132	5	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.5560	0.000	1	109.8126	0.132	5	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	109.4680	0.000	1	109.8126	0.132	5	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	110.0190	0.000	1	109.8126	0.132	5	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	109.3670	0.000	1	109.3670	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	110.0870	0.000	1	110.2027	0.110	7	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	110.3465	0.067	2	110.2027	0.110	7	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.2415	0.011	2	110.2027	0.110	7	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	109.5460	0.000	1	110.2027	0.110	7	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.6100	0.000	1	110.2027	0.110	7	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	110.3090	0.000	1	109.8197	0.059	6	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	109.6915	0.060	2	109.8197	0.059	6	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.7420	0.038	3	109.8197	0.059	6	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.5600	0.407	4	109.5600	0.166	4	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.4290	0.017	2	110.4290	0.000	2	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.5275	0.312	2	109.5093	0.076	6	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	109.3320	0.000	1	109.5093	0.076	6	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.9600	0.000	1	109.5093	0.076	6	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.3520	0.000	1	109.5093	0.076	6	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.3570	0.000	1	109.5093	0.076	6	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.6733	0.155	3	110.1703	0.153	15	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.9833	0.310	10	110.1703	0.153	15	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.1830	0.000	1	110.1703	0.153	15	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.5180	0.000	1	110.1703	0.153	15	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.5370	0.000	1	109.7609	0.162	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.7672	0.158	5	109.7609	0.162	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	110.0480	0.000	1	109.7609	0.162	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.0730	0.383	3	109.7609	0.162	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.8567	0.252	10	109.7609	0.162	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.8660	0.000	1	109.7609	0.162	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.9430	0.000	1	109.7609	0.162	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.1290	0.000	1	109.7609	0.162	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.1170	0.000	1	109.7609	0.162	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.2940	0.000	1	109.2940	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.2500	0.000	1	110.0630	0.070	2	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.8760	0.000	1	110.0630	0.070	2	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	109.5530	0.242	2	109.4330	0.054	4	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6]C[6a])(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.3130	0.216	2	109.4330	0.054	4	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.4305	0.477	2	109.4305	0.228	2	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.2480	0.000	1	109.2830	0.003	3	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.3005	0.070	2	109.2830	0.003	3	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.9670	0.000	1	109.9670	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.9020	0.020	2	109.8887	0.001	3	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	109.8620	0.000	1	109.8887	0.001	3	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C[6])(C[5]C[5]CO){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	110.2610	0.000	1	110.2610	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.0860	0.000	1	110.0860	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.8650	0.000	1	109.9233	0.047	3	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.1640	0.000	1	109.9233	0.047	3	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.7410	0.000	1	109.9233	0.047	3	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	110.8150	0.000	1	110.5760	0.114	2	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	110.3370	0.000	1	110.5760	0.114	2	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	109.5850	0.000	1	109.4384	0.118	5	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	109.9120	0.000	1	109.4384	0.118	5	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	109.0890	0.000	1	109.4384	0.118	5	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.1180	0.000	1	109.4384	0.118	5	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.4880	0.000	1	109.4384	0.118	5	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	110.0680	0.253	2	110.2789	0.113	7	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	110.6850	0.000	1	110.2789	0.113	7	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	109.8620	0.000	1	110.2789	0.113	7	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	110.5370	0.000	1	110.2789	0.113	7	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|F<1>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	110.1380	0.000	1	110.2789	0.113	7	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	110.5940	0.000	1	110.2789	0.113	7	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	109.8330	0.000	1	109.8660	0.067	5	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	110.0945	0.228	2	109.8660	0.067	5	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.7580	0.000	1	109.8660	0.067	5	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.5500	0.000	1	109.8660	0.067	5	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.4230	0.000	1	109.8303	0.269	36	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.4700	0.000	1	109.8303	0.269	36	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.7312	0.559	18	109.8303	0.269	36	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.6130	0.000	1	109.8303	0.269	36	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.0715	0.240	2	109.8303	0.269	36	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.4750	0.000	1	109.8303	0.269	36	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.9670	0.501	12	109.8303	0.269	36	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.1700	0.000	1	109.9151	0.710	9	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.9049	0.965	7	109.9151	0.710	9	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.7320	0.000	1	109.9151	0.710	9	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.5507	0.145	3	109.5507	0.021	3	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.1580	0.000	1	110.3355	0.269	17	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.7834	0.404	7	110.3355	0.269	17	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	110.5770	0.000	1	110.3355	0.269	17	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.9040	0.286	7	110.3355	0.269	17	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.1560	0.000	1	110.3355	0.269	17	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.7267	0.138	3	109.9634	0.128	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	109.9580	0.000	1	109.9634	0.128	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.9715	0.327	13	109.9634	0.128	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.5150	0.000	1	109.9634	0.128	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.6160	0.000	1	109.9634	0.128	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.9315	0.354	2	109.9634	0.128	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.2080	0.000	1	109.9634	0.128	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.0765	0.053	2	109.9634	0.128	24	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.9685	0.214	2	109.9685	0.046	2	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.9160	0.000	1	109.9160	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	108.9040	0.000	1	108.9040	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.8780	0.000	1	110.8780	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	108.9390	0.000	1	108.9390	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|N<2>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.7660	0.000	1	109.7660	0.000	1	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	108.8660	0.324	2	108.8660	0.105	2	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	110.0290	0.000	2	110.0290	0.000	2	109.5234	0.714	325	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|F<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){1|C<4>,2|F<1>,4|C<3>}	111.1085	0.197	2	111.1085	0.039	2	109.6618	0.464	17	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){2|C<4>,2|H<1>,3|C<3>}	108.9845	0.344	2	109.4363	0.183	8	109.6618	0.464	17	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){1|C<4>,2|H<1>,4|C<3>}	109.5868	0.351	6	109.4363	0.183	8	109.6618	0.464	17	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]CC){1|C<4>,2|H<1>,4|C<3>}	109.5061	0.473	7	109.5061	0.223	7	109.6618	0.464	17	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|S<4>,2|C<3>,2|H<1>}	110.0150	0.000	1	110.0150	0.000	1	108.8960	0.414	6	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SCOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SCOO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	108.9040	0.000	2	108.9040	0.000	2	108.8960	0.414	6	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<4>,2|H<1>}	108.5290	0.000	1	108.5290	0.000	1	108.8960	0.414	6	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	108.0720	0.000	1	108.0720	0.000	1	108.8960	0.414	6	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	108.9520	0.000	1	108.9520	0.000	1	108.8960	0.414	6	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|N<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]B[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]P[5]FF)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]B[5]CC)	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]P[5]FF){1|P<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]B[5]CC){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	116.9100	0.000	1	116.9100	0.000	1	116.9100	0.000	1	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.0390	0.000	1	110.0390	0.000	1	109.8486	0.457	14	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]CH){1|C<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	110.8355	0.155	2	110.8355	0.024	2	109.8486	0.457	14	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	108.7605	0.337	2	108.7605	0.114	2	109.8486	0.457	14	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]CH){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	109.6175	0.204	2	109.6175	0.042	2	109.8486	0.457	14	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){1|P<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	110.3430	0.000	1	110.3430	0.000	1	109.8486	0.457	14	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	109.7150	0.000	1	109.7150	0.000	1	109.8486	0.457	14	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,4|H<1>}	109.3910	0.000	1	109.3910	0.000	1	109.8486	0.457	14	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	110.4220	0.000	1	110.4220	0.000	1	109.8486	0.457	14	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.5955	0.353	2	109.5955	0.125	2	109.8486	0.457	14	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,2|N<2>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	110.3520	0.000	1	110.3520	0.000	1	109.8486	0.457	14	109.5494	0.838	366	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	109.5910	0.000	1	109.5910	0.000	1	109.5910	0.000	1	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	108.9550	0.000	1	108.9550	0.000	1	109.7119	0.274	18	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	109.2090	0.000	1	109.2090	0.000	1	109.7119	0.274	18	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	109.6190	0.000	1	109.4580	0.035	3	109.7119	0.274	18	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	109.3775	0.179	2	109.4580	0.035	3	109.7119	0.274	18	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,3|C<3>,3|H<1>}	109.4640	0.000	1	109.5655	0.285	6	109.7119	0.274	18	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	109.1100	0.000	1	109.5655	0.285	6	109.7119	0.274	18	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.2120	0.000	1	109.5655	0.285	6	109.7119	0.274	18	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	109.1940	0.291	2	109.5655	0.285	6	109.7119	0.274	18	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	110.2190	0.000	1	109.5655	0.285	6	109.7119	0.274	18	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	109.9227	0.265	3	110.1263	0.137	7	109.7119	0.274	18	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	110.3327	0.463	3	110.1263	0.137	7	109.7119	0.274	18	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.1180	0.000	1	110.1263	0.137	7	109.7119	0.274	18	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,3|H<1>,5|C<4>}	108.3380	0.000	1	108.5605	0.099	2	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	108.7830	0.000	1	108.5605	0.099	2	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.3970	0.000	1	109.3970	0.000	1	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	108.6340	0.000	1	108.6340	0.000	1	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	110.4290	0.000	1	110.0858	0.200	6	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	110.6730	0.000	1	110.0858	0.200	6	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	109.7790	0.443	2	110.0858	0.200	6	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	110.1540	0.000	1	110.0858	0.200	6	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.7010	0.000	1	110.0858	0.200	6	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.1340	0.000	1	110.0060	0.053	9	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	109.9800	0.000	1	110.0060	0.053	9	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.9450	0.000	1	110.0060	0.053	9	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	110.4220	0.000	1	110.0060	0.053	9	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	110.2360	0.000	1	110.0060	0.053	9	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	110.0290	0.000	1	110.0060	0.053	9	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	109.8470	0.000	1	110.0060	0.053	9	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.7305	0.057	2	110.0060	0.053	9	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	109.7285	0.179	2	109.4319	0.800	8	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<2>,2|C<4>,4|H<1>}	109.6740	0.000	1	109.4319	0.800	8	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	109.5260	0.000	1	109.4319	0.800	8	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	108.3910	1.549	2	109.4319	0.800	8	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	110.0080	0.305	2	109.4319	0.800	8	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	111.2240	0.000	1	111.2240	0.000	1	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.4300	0.000	1	109.6538	0.106	29	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.5550	0.000	1	109.6538	0.106	29	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.6828	0.207	5	109.6538	0.106	29	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	109.6340	0.000	1	109.6538	0.106	29	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	109.6660	0.000	1	109.6538	0.106	29	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	109.6810	0.000	1	109.6538	0.106	29	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	109.7890	0.000	1	109.6538	0.106	29	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	109.7390	0.000	1	109.6538	0.106	29	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.6870	0.000	1	109.6538	0.106	29	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.5540	0.000	1	109.6538	0.106	29	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.6953	0.179	6	109.6538	0.106	29	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	109.8230	0.011	2	109.6538	0.106	29	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	110.3630	0.000	1	109.6538	0.106	29	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	109.3030	0.856	2	109.6538	0.106	29	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	110.1680	0.000	1	109.6538	0.106	29	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.2857	0.389	3	109.6538	0.106	29	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Br){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	110.3000	0.000	1	110.3000	0.000	1	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	109.6720	0.000	1	109.6720	0.000	1	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	110.5100	0.000	1	110.0890	0.234	12	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<1>,2|H<1>,4|C<4>}	110.3220	1.116	2	110.0890	0.234	12	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.6070	0.000	1	110.0890	0.234	12	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.1990	0.000	1	110.0890	0.234	12	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	109.8120	0.000	1	110.0890	0.234	12	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.5390	0.000	1	110.0890	0.234	12	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	110.3560	0.000	1	110.0890	0.234	12	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.8253	0.196	3	110.0890	0.234	12	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	109.9250	0.000	1	110.0890	0.234	12	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	109.8820	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	110.2760	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<2>,4|C<3>}	110.0860	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	109.6570	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	109.8290	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	110.0420	0.171	2	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	110.0270	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	109.6090	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	109.7060	0.174	3	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.6550	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	110.3740	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	109.6010	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	110.0460	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	109.7140	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.2210	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	109.3460	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	109.6200	0.311	4	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	109.8150	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	109.5729	0.418	7	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	109.6670	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	110.2400	0.683	2	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	110.2420	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	109.3050	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	110.1135	0.142	2	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	109.3840	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	109.5180	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	110.1650	0.000	1	109.7760	0.134	41	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	110.1070	0.000	1	110.1500	0.027	3	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	110.1715	0.228	2	110.1500	0.027	3	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	109.5880	0.000	1	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	110.2220	0.180	2	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,5|C<3>}	111.1470	0.000	1	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<2>,2|C<4>,3|C<3>}	110.5835	0.071	2	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	109.8970	0.000	1	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	110.2030	0.000	1	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	109.4650	0.000	1	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.5640	0.000	1	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.7860	0.000	1	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.8015	0.374	4	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	110.0772	0.548	5	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	110.5500	0.000	1	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	109.7000	0.000	1	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.9630	0.000	1	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<4>,4|C<3>}	109.7420	0.000	1	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	110.0540	0.000	1	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	109.8080	0.000	1	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	109.9310	0.000	1	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	109.9770	0.000	1	110.0206	0.192	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C[6])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C[6]){1|O<1>,2|H<1>,3|C<3>,6|C<4>}	110.1640	0.000	1	110.1640	0.000	1	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Cl){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	110.0620	0.000	1	110.0620	0.000	1	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.2520	0.000	1	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.9300	0.000	1	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	109.7550	0.000	1	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,3|C<4>,3|H<1>}	109.8110	0.000	1	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	109.9230	0.000	1	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	109.9050	0.000	1	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<1>,3|C<3>,3|H<1>}	111.4105	1.788	2	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	110.3710	0.000	1	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.1797	0.298	4	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	110.2770	0.000	1	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.0960	0.000	1	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	110.2750	0.000	1	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.8978	0.220	6	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	110.7940	0.000	1	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.3865	0.063	2	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	109.8515	0.011	2	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.6290	0.000	1	110.1222	0.365	28	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]N[6])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]N[6]){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	110.1140	0.000	1	110.1140	0.000	1	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<2>,3|C<4>,3|H<1>}	110.0310	0.000	1	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,4|H<1>}	109.5340	0.000	1	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	109.5890	0.000	1	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	109.6460	0.000	1	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	109.4100	0.246	2	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	109.9560	0.000	1	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	109.6517	0.222	6	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	109.7570	0.000	1	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	109.5740	0.000	1	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	109.9610	0.000	1	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.1330	0.168	2	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,2|O<1>,3|C<4>,4|H<1>}	109.9140	0.154	4	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	110.0685	0.299	2	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	109.8760	0.000	1	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,4|H<1>}	109.5955	0.182	2	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	109.6830	0.010	2	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	109.9900	0.000	1	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|I<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	109.9690	0.000	1	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	109.3800	0.000	1	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.9080	0.000	1	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	109.7420	0.000	1	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	110.1180	0.000	1	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	109.7470	0.000	1	109.7257	0.075	36	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	110.1620	0.000	1	110.1620	0.000	1	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	109.9540	0.000	1	110.0455	0.017	2	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	110.1370	0.000	1	110.0455	0.017	2	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,3|C<3>,3|H<1>}	110.0680	0.000	1	110.0680	0.000	1	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.2040	0.000	1	110.2040	0.000	1	109.8589	0.239	215	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	111.0670	0.000	1	111.0670	0.000	1	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|Cl<1>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.1990	0.000	1	109.3190	0.029	2	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|Cl<1>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	109.4390	0.000	1	109.3190	0.029	2	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	109.8030	0.000	1	109.9993	0.068	3	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	109.9000	0.000	1	109.9993	0.068	3	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,4|C<3>}	110.2950	0.000	1	109.9993	0.068	3	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	109.8850	0.000	1	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	109.7340	0.000	1	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	110.3195	0.100	2	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,3|H<1>}	110.0860	0.000	1	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	109.5160	0.000	1	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|H<1>,3|C<3>,3|C<4>}	110.1235	0.161	2	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	109.5935	0.159	2	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	110.0380	0.024	2	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	110.4340	0.000	1	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	109.8010	0.000	1	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.1760	0.000	1	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	110.4130	0.000	1	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	109.5680	0.000	1	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.9770	0.000	1	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<2>,3|C<3>,3|C<4>}	110.2350	0.000	1	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	110.3430	0.000	1	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	110.2397	0.190	3	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	110.0150	0.000	1	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	109.1850	0.505	2	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	109.9213	0.807	3	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	109.8570	0.000	1	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|O<1>,4|C<3>}	109.7910	0.000	1	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	110.2070	0.000	1	109.9700	0.160	32	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]Br){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	109.8900	0.000	2	109.8900	0.000	2	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	109.3220	0.000	1	109.7549	0.091	14	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	109.5180	0.000	1	109.7549	0.091	14	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	109.5910	0.000	1	109.7549	0.091	14	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	109.7520	0.000	1	109.7549	0.091	14	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	109.7780	0.000	1	109.7549	0.091	14	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	109.8450	0.000	1	109.7549	0.091	14	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	109.2150	0.000	1	109.7549	0.091	14	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	110.0430	0.277	4	109.7549	0.091	14	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	109.6470	0.000	1	109.7549	0.091	14	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	109.8640	0.105	2	109.7549	0.091	14	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]O){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	109.3650	0.000	1	109.3650	0.000	1	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]Br){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.6770	0.000	1	110.6770	0.000	1	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	109.7050	0.000	1	109.7050	0.000	1	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]S)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]S)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|S<1>,1|S<2>,4|C<3>,4|H<1>}	109.2770	0.000	1	109.2770	0.000	1	109.8985	0.178	58	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	109.3200	0.427	2	109.3200	0.182	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	108.9770	0.000	1	108.9770	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]AlH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Al<4>,1|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Al<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]AlH)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	108.5100	1.806	2	108.5100	3.261	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]GaH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ga<4>,1|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Ga<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]GaH)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	108.0150	0.035	2	108.0150	0.001	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CCHH){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	109.1130	0.000	1	109.1130	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	110.0440	0.000	1	110.0440	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	109.7610	0.280	2	109.7610	0.078	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	109.6440	0.000	1	109.6440	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[6]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,6|C<4>}	110.0380	0.221	2	110.0380	0.049	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	109.6290	0.000	1	109.6290	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.4210	0.000	2	110.4210	0.000	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	109.7715	0.124	2	109.7715	0.015	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	109.6445	0.144	2	109.6445	0.021	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.5655	0.353	2	109.5655	0.125	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.5420	0.000	1	110.5420	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	109.6520	0.000	1	109.6520	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,2|H<1>,3|C<4>}	110.3910	0.000	1	110.3910	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	109.9180	0.000	1	109.9180	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]2C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]2C[6])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,3|H<1>,4|C<3>}	110.1280	0.000	1	110.1280	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	109.7060	0.064	2	109.7060	0.004	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.2980	0.000	1	110.2980	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.5400	0.000	1	110.5400	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[4]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[4]C)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	110.1320	0.000	1	110.1320	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]N)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	109.7230	0.000	1	109.7230	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	109.9650	0.000	1	109.9650	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.4917	0.581	4	109.4917	0.337	4	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.8160	0.240	2	109.8160	0.058	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.5020	0.000	1	109.5020	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	109.6990	0.000	1	109.6990	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	109.0920	0.000	1	109.5287	0.192	7	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.7075	0.426	4	109.5287	0.192	7	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.3895	0.504	2	109.5287	0.192	7	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.2620	0.242	4	109.2493	0.048	6	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	109.2240	0.250	2	109.2493	0.048	6	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.7943	0.407	6	109.7943	0.166	6	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.4340	0.000	1	109.3475	0.015	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	109.2610	0.000	1	109.3475	0.015	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	110.2510	0.000	1	110.4327	0.069	3	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	110.5235	0.298	2	110.4327	0.069	3	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	110.3270	0.000	1	110.4163	0.007	3	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	110.4610	0.033	2	110.4163	0.007	3	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CClHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CClHH){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.1470	0.000	1	110.1470	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]C)(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]C)(C[6a]C[6a]Br){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.6820	0.000	1	109.6820	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|Br<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.8470	0.021	2	109.8470	0.000	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]F)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]F)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	110.5920	0.000	1	110.5920	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.8090	0.000	1	109.8090	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]N)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	110.1070	0.000	1	110.1070	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	109.7990	0.000	1	109.8545	0.006	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.9100	0.000	1	109.8545	0.006	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	110.0040	0.000	1	110.0065	0.000	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.0090	0.000	1	110.0065	0.000	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	109.5820	0.000	1	109.5820	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	109.6350	0.000	1	109.6350	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	109.6880	0.000	1	110.1087	0.770	3	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.3190	1.129	2	110.1087	0.770	3	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]F){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	109.0870	0.000	1	109.0870	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.3670	0.048	2	110.3670	0.002	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.7970	0.000	1	110.0105	0.091	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	110.2240	0.000	1	110.0105	0.091	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	110.3750	0.000	1	110.3750	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	110.2250	0.264	2	110.2250	0.070	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	109.6670	0.000	1	109.7584	0.023	15	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	109.6340	0.000	1	109.7584	0.023	15	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.8556	0.147	8	109.7584	0.023	15	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	109.6280	0.033	2	109.7584	0.023	15	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	109.6420	0.000	1	109.7584	0.023	15	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	109.6660	0.035	2	109.7584	0.023	15	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.8150	0.000	1	110.8150	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.1070	0.000	1	110.1070	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.5720	0.571	2	110.5720	0.326	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.8805	0.732	2	109.8805	0.536	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.0040	0.000	1	110.0040	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.4420	0.000	1	110.4420	0.000	1	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.2745	0.380	2	110.2745	0.144	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Yb)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]YbC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Yb<12>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Yb)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]YbC)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	107.5995	0.217	2	107.5995	0.047	2	109.7650	0.386	121	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]Cu2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cu<4>,1|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(CCHH){2|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]Cu2)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	112.4806	0.176	5	112.4806	0.031	5	112.4806	0.031	5	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	108.5460	0.414	2	108.9727	0.632	3	108.9727	0.632	3	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|S<4>,3|C<3>,4|H<1>}	109.8260	0.000	1	108.9727	0.632	3	108.9727	0.632	3	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|C<2>,3|C<3>,4|H<1>}	109.2590	0.000	1	109.2590	0.000	1	109.2590	0.000	1	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	109.3520	0.000	1	109.3520	0.000	1	109.1003	0.217	3	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	108.9745	0.582	2	108.9745	0.339	2	109.1003	0.217	3	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HO)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HO){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]C[6]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	115.4880	0.000	1	115.4880	0.000	1	115.4880	0.000	1	109.8618	0.438	426	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5,6])(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5,6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	109.9550	0.000	1	109.9550	0.000	1	109.9550	0.000	1	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:P-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PNNO)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]P){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PNNO){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	109.5500	0.641	2	109.5500	0.410	2	109.5500	0.410	2	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:S-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(SC[6a]OO)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	110.3160	0.000	1	110.3160	0.000	1	110.3160	0.000	1	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.7840	0.157	2	109.7840	0.025	2	110.3345	0.241	16	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.2270	0.000	1	110.2270	0.000	1	110.3345	0.241	16	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]F)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,1|S<3>,3|H<1>}	111.3480	0.000	1	111.3480	0.000	1	110.3345	0.241	16	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(CH3)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	110.8460	0.000	1	110.8460	0.000	1	110.3345	0.241	16	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.4730	0.000	1	110.4730	0.000	1	110.3345	0.241	16	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<1>,2|C<3>,2|H<1>}	110.1630	0.153	2	110.1630	0.023	2	110.3345	0.241	16	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	110.0430	0.000	1	110.0430	0.000	1	110.3345	0.241	16	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.2170	0.000	1	110.2170	0.000	1	110.3345	0.241	16	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	110.0625	0.132	2	110.0625	0.017	2	110.3345	0.241	16	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<1>,2|C<3>,2|H<1>}	110.5630	0.000	1	110.5447	0.382	4	110.3345	0.241	16	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	110.5387	0.757	3	110.5447	0.382	4	110.3345	0.241	16	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CC[6a]HH)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	110.0900	0.000	1	109.9965	0.017	2	110.0083	0.009	3	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CC[6a]HH)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.9030	0.000	1	109.9965	0.017	2	110.0083	0.009	3	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CH3)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<4>,4|C<3>}	110.0320	0.000	1	110.0320	0.000	1	110.0083	0.009	3	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	110.5770	0.000	1	110.4355	0.040	2	110.1287	0.179	4	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	110.2940	0.000	1	110.4355	0.040	2	110.1287	0.179	4	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CH3)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	110.0680	0.000	1	110.0680	0.000	1	110.1287	0.179	4	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CHHO)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CHHO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	109.5760	0.000	1	109.5760	0.000	1	110.1287	0.179	4	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	110.3140	0.000	1	110.3140	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|Cl<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	108.3770	0.000	1	108.3770	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CH3)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	109.6663	0.194	3	109.6663	0.038	3	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|S<2>,2|C<3>,4|C<4>}	110.0710	0.000	1	109.9353	0.080	3	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>,4|C<4>}	109.8675	0.364	2	109.9353	0.080	3	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	110.2450	0.000	1	110.4120	0.056	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	110.5790	0.000	1	110.4120	0.056	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	109.5960	0.000	1	109.5960	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.7690	0.000	1	109.8850	0.011	4	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	109.9237	0.083	3	109.8850	0.011	4	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[5a]HH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	110.1040	0.000	1	110.1040	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<4>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	110.1220	0.000	1	110.1220	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	110.2380	0.000	1	110.2380	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	110.8520	0.000	1	109.8862	0.181	19	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	109.6710	0.000	1	109.8862	0.181	19	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	109.8353	0.297	4	109.8862	0.181	19	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	109.8940	0.000	1	109.8862	0.181	19	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	110.0430	0.772	2	109.8862	0.181	19	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	110.0420	0.274	2	109.8862	0.181	19	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	109.4470	0.000	1	109.8862	0.181	19	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.6210	0.368	2	109.8862	0.181	19	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	109.7350	0.000	1	109.8862	0.181	19	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	110.1250	0.000	1	109.8862	0.181	19	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	109.6510	0.740	2	109.8862	0.181	19	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	110.0580	0.000	1	109.8862	0.181	19	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	109.8920	0.000	1	110.1306	0.069	15	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.0650	0.000	1	110.1306	0.069	15	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	109.8960	0.000	1	110.1306	0.069	15	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	109.9890	0.335	3	110.1306	0.069	15	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	110.2035	0.272	2	110.1306	0.069	15	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	110.3970	0.000	1	110.1306	0.069	15	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	110.2770	0.000	1	110.1306	0.069	15	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	110.3660	0.075	2	110.1306	0.069	15	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	109.9800	0.413	2	110.1306	0.069	15	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	110.3660	0.000	1	110.1306	0.069	15	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.4500	0.000	1	110.0019	0.256	7	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	110.9960	0.000	1	110.0019	0.256	7	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	109.9134	0.226	5	110.0019	0.256	7	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	110.0070	0.000	1	110.1272	0.108	5	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.9165	0.285	2	110.1272	0.108	5	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	110.3980	0.315	2	110.1272	0.108	5	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,5|C<3>}	109.8760	0.000	1	109.9155	0.003	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	109.9550	0.000	1	109.9155	0.003	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.5760	0.000	1	109.4575	0.028	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	109.3390	0.000	1	109.4575	0.028	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	109.5440	0.000	1	109.5330	0.000	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	109.5220	0.000	1	109.5330	0.000	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	110.0470	0.000	1	110.2725	0.102	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	110.4980	0.000	1	110.2725	0.102	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	110.6400	0.000	1	110.6400	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	109.7190	0.000	1	109.7190	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	109.5800	0.000	1	109.5800	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.2960	0.000	1	110.2960	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	110.0800	0.000	1	110.0800	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	109.7140	0.000	1	109.7140	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	109.8720	0.000	1	110.1063	0.050	4	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	110.1020	0.000	1	110.1063	0.050	4	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	110.4090	0.000	1	110.1063	0.050	4	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	110.0420	0.000	1	110.1063	0.050	4	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|O<2>,5|C<3>}	110.3810	0.000	1	110.0009	0.065	24	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,5|C<3>}	110.3230	0.000	1	110.0009	0.065	24	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	109.9570	0.000	1	110.0009	0.065	24	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	110.3230	0.000	1	110.0009	0.065	24	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	110.0310	0.000	1	110.0009	0.065	24	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	110.1940	0.304	2	110.0009	0.065	24	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.9418	0.209	6	110.0009	0.065	24	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	110.3220	0.000	1	110.0009	0.065	24	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	109.4640	0.000	1	110.0009	0.065	24	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	109.8630	0.000	1	110.0009	0.065	24	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	110.1650	0.000	1	110.0009	0.065	24	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	109.8560	0.000	1	110.0009	0.065	24	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	110.0780	0.057	2	110.0009	0.065	24	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	109.7715	0.271	2	110.0009	0.065	24	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	109.8450	0.000	1	110.0009	0.065	24	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	109.7530	0.000	1	110.0009	0.065	24	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	110.2667	0.265	3	110.2127	0.337	10	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|S<2>,2|C<3>,4|C<4>}	109.8750	0.000	1	110.2127	0.337	10	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.8710	0.000	1	110.2127	0.337	10	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>,4|C<4>}	110.2850	0.000	1	110.2127	0.337	10	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	110.0380	0.000	1	110.2127	0.337	10	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	111.6290	0.000	1	110.2127	0.337	10	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	110.2000	0.000	1	110.2127	0.337	10	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	109.4290	0.000	1	110.2127	0.337	10	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	110.1980	0.000	1	110.0050	0.041	6	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	109.9664	0.200	5	110.0050	0.041	6	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,6,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	109.7820	0.000	1	109.7820	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	110.2190	0.000	1	110.0050	0.092	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	109.7910	0.000	1	110.0050	0.092	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	110.0770	0.000	1	109.8063	0.064	3	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	109.6710	0.136	2	109.8063	0.064	3	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	110.2340	0.000	1	110.1775	0.006	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	110.1210	0.000	1	110.1775	0.006	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	110.2330	0.000	1	110.2330	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	109.8950	0.000	1	109.9990	0.022	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	110.1030	0.000	1	109.9990	0.022	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.9000	0.000	1	109.9000	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	110.5160	0.000	1	110.4385	0.012	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	110.3610	0.000	1	110.4385	0.012	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	109.8460	0.000	1	109.8460	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.7555	0.261	2	109.7555	0.068	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]N[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]N[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.1300	0.000	1	110.1300	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	109.3970	0.000	1	109.8500	0.410	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	110.3030	0.000	1	109.8500	0.410	2	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.9760	0.000	1	109.9760	0.000	1	109.9936	0.141	143	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CC[6a]HH)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.7900	0.000	1	109.7900	0.000	1	110.0135	0.100	2	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CH3)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<3>,3|C<4>,3|H<1>}	110.2370	0.000	1	110.2370	0.000	1	110.0135	0.100	2	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,4|C<3>,4|C<4>}	109.1393	0.463	4	109.1393	0.214	4	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	109.2740	0.000	1	109.2740	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]F)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]F)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|F<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	111.0250	0.000	1	111.0250	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]F){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	110.3210	0.000	1	110.3210	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	110.2910	0.000	1	110.2910	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>,4|C<4>}	109.9090	0.000	1	109.9090	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	109.4760	0.441	2	109.4760	0.195	2	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	109.6980	0.059	2	109.8107	0.040	3	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	110.0360	0.000	1	109.8107	0.040	3	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	109.3560	0.000	1	109.3560	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	109.5780	0.000	1	109.5780	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.5750	0.000	1	109.5750	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	109.6960	0.000	1	109.6960	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	109.5210	0.000	1	109.5210	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	109.4955	0.138	2	109.4955	0.019	2	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	109.9860	0.000	1	109.9303	0.021	3	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	110.0390	0.000	1	109.9303	0.021	3	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	109.7660	0.000	1	109.9303	0.021	3	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.3090	0.000	1	110.3090	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.2870	0.000	1	110.2870	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.1920	0.253	2	110.1920	0.064	2	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	112.4690	0.000	1	112.4690	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.7700	0.000	1	109.7700	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<2>,2|C<3>,2|H<1>,2|N<3>}	110.0230	0.000	1	109.5998	0.075	8	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.5990	0.000	1	109.5998	0.075	8	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	109.6610	0.137	2	109.5998	0.075	8	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	109.3145	0.197	2	109.5998	0.075	8	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	109.8530	0.000	1	109.5998	0.075	8	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	109.3720	0.000	1	109.5998	0.075	8	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	110.4940	0.000	1	110.4940	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.9430	0.000	1	109.9430	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	109.7770	0.120	2	109.9060	0.057	3	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	110.1640	0.000	1	109.9060	0.057	3	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	110.4100	0.000	1	109.9568	0.050	9	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.9840	0.000	1	109.9568	0.050	9	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.9430	0.000	1	109.9568	0.050	9	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	110.0930	0.000	1	109.9568	0.050	9	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	109.8510	0.000	1	109.9568	0.050	9	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	109.5560	0.000	1	109.9568	0.050	9	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	109.9440	0.000	1	109.9568	0.050	9	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	109.9540	0.000	1	109.9568	0.050	9	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	109.8760	0.000	1	109.9568	0.050	9	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	110.0600	0.000	1	110.0600	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	110.5140	0.000	1	110.0945	0.216	6	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	110.1330	0.000	1	110.0945	0.216	6	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.7610	0.000	1	110.0945	0.216	6	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	109.6975	0.172	2	110.0945	0.216	6	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.7640	0.000	1	110.0945	0.216	6	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.1880	0.197	2	109.6065	0.246	4	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	110.0310	0.000	1	109.6065	0.246	4	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	110.0190	0.000	1	109.6065	0.246	4	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	109.8980	0.000	1	109.9735	0.011	2	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	110.0490	0.000	1	109.9735	0.011	2	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.1360	0.000	1	109.7330	0.100	4	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	109.4820	0.030	2	109.7330	0.100	4	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,2|O<1>,4|C<3>}	109.8320	0.000	1	109.7330	0.100	4	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[6,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	109.9450	0.000	1	109.9450	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.8180	0.127	3	109.7482	0.040	6	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	109.3860	0.000	1	109.7482	0.040	6	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	109.8880	0.000	1	109.7482	0.040	6	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	109.7610	0.000	1	109.7482	0.040	6	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	109.4740	0.000	1	109.9100	0.380	2	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>,3|C<4>}	110.3460	0.000	1	109.9100	0.380	2	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.6240	0.390	2	109.6240	0.152	2	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5,6a](C[5,6]N[5a,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]N[5a,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.2040	0.000	1	110.2040	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	109.9990	0.000	1	109.9990	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	108.9870	0.000	1	108.9870	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	110.1890	0.000	1	110.0847	0.081	6	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	109.7955	0.180	2	110.0847	0.081	6	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	110.2427	0.244	3	110.0847	0.081	6	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	110.0990	0.000	1	109.6699	0.123	10	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	109.1400	0.000	1	109.6699	0.123	10	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	109.4580	0.000	1	109.6699	0.123	10	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	109.7910	0.000	1	109.6699	0.123	10	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	109.4960	0.000	1	109.6699	0.123	10	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	109.2920	0.000	1	109.6699	0.123	10	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	109.8558	0.300	4	109.6699	0.123	10	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	109.7490	0.000	1	109.7490	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	109.4188	0.339	4	109.4188	0.115	4	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	109.8370	0.000	1	109.8370	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.4390	0.165	2	109.4390	0.027	2	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	110.1800	1.134	3	110.1800	1.287	3	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	109.7170	0.000	2	109.9132	0.032	5	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.0490	0.030	2	109.9132	0.032	5	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	110.0340	0.000	1	109.9132	0.032	5	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	109.9260	0.000	1	109.6937	0.044	4	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.7100	0.000	1	109.6937	0.044	4	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	109.5695	0.220	2	109.6937	0.044	4	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	110.1120	0.170	2	110.1120	0.029	2	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5,6a](C[5,6]N[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]N[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	110.3590	0.000	1	110.3590	0.000	1	109.8319	0.230	122	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|Br<1>,4|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	109.6120	0.000	1	109.6120	0.000	1	109.7921	0.072	9	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	110.1490	0.000	1	109.9043	0.213	3	109.7921	0.072	9	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,2|H<1>,4|C<3>}	109.7820	0.580	2	109.9043	0.213	3	109.7921	0.072	9	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	109.8220	0.000	1	109.8220	0.000	1	109.7921	0.072	9	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5,6a](C[5]C[6a]N[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5]C[6a]N[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	109.9230	0.000	1	109.9230	0.000	1	109.7921	0.072	9	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	109.6210	0.021	2	109.6210	0.000	2	109.7921	0.072	9	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	109.8170	0.000	1	109.8170	0.000	1	109.7921	0.072	9	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(SC[6a]OO)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	109.3030	0.429	2	109.3030	0.184	2	109.3030	0.184	2	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:P-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]P)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(PC3)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]P){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(PC3){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	110.1760	0.000	1	110.1760	0.000	1	110.1760	0.000	1	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6,6]-3:C[5,6a]-3:C-4:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	110.6090	0.000	1	110.6090	0.000	1	110.6090	0.000	1	109.9394	0.195	307	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:5:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:B-5:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BReH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(BReH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<5>,1|C<3>,1|S<2>,2|H<1>}	111.6520	0.000	2	111.6520	0.000	2	111.6520	0.000	2	111.6520	0.000	2	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6a]-3:S[5]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]H)	N[5](C[5,6a]C[5,6a]C[6,6a])(S[5]N[5]OO)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(S[5]N[5]OO)(H){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5]){1|N<2>,2|H<1>,2|O<1>,3|C<3>}	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	111.7633	11.040	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,2|C<4>,3|H<1>}	113.8730	0.228	2	113.8730	0.052	2	113.8730	0.052	2	111.7633	11.040	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]O){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(O){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	106.3820	0.000	1	106.3820	0.000	1	106.3820	0.000	1	111.7633	11.040	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	113.4400	0.000	1	113.4400	0.000	1	113.4400	0.000	1	111.7633	11.040	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-4:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]P[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]S[5]Se)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]P[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]P[5]H){1|Se<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]S[5]Se)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]P[5]){1|Se<1>,2|C<3>,3|H<1>}	115.7050	0.000	1	115.7050	0.000	1	115.7050	0.000	1	111.7633	11.040	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:S[5]-4:H-1:	C[5,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5]H){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO)(H){3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	111.7633	11.040	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	111.8920	0.000	1	111.8920	0.000	1	111.6950	0.067	3	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	111.7900	0.000	1	111.7900	0.000	1	111.6950	0.067	3	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	111.4030	0.000	1	111.4030	0.000	1	111.6950	0.067	3	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	111.9510	0.000	1	111.9240	0.001	2	111.9240	0.001	2	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	111.8970	0.000	1	111.9240	0.001	2	111.9240	0.001	2	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|C<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	111.2420	0.000	1	111.2420	0.000	1	111.9270	0.247	22	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|C<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	113.1500	0.000	1	113.1500	0.000	1	111.9270	0.247	22	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	112.1850	0.000	1	112.1850	0.000	1	111.9270	0.247	22	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	112.2130	0.000	1	111.8325	0.290	2	111.9270	0.247	22	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	111.4520	0.000	1	111.8325	0.290	2	111.9270	0.247	22	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	111.1550	0.000	1	111.6716	0.205	5	111.9270	0.247	22	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	111.4990	0.345	2	111.6716	0.205	5	111.9270	0.247	22	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	112.0520	0.000	1	111.6716	0.205	5	111.9270	0.247	22	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	112.1530	0.000	1	111.6716	0.205	5	111.9270	0.247	22	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	112.4700	0.000	1	112.2523	0.076	3	111.9270	0.247	22	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	112.1435	0.284	2	112.2523	0.076	3	111.9270	0.247	22	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	111.7970	0.000	1	111.7970	0.000	1	111.9270	0.247	22	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	111.1540	0.000	1	111.1540	0.000	1	111.9270	0.247	22	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	111.7597	0.283	3	111.7597	0.080	3	111.9270	0.247	22	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C[6])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C[6])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	112.1770	0.187	3	112.1770	0.035	3	111.9270	0.247	22	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.2770	0.000	1	112.2770	0.000	1	111.9270	0.247	22	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,3|H<1>}	107.7960	0.000	1	108.3690	0.657	2	106.6123	1.397	8	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	108.9420	0.000	1	108.3690	0.657	2	106.6123	1.397	8	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]DyN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Dy)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Dy<15>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]DyN)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Dy){1|C<3>,1|N<3>,3|H<1>}	106.1435	0.200	2	106.1435	0.040	2	106.6123	1.397	8	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HoN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ho)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ho<15>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HoN)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ho){1|C<3>,1|N<3>,3|H<1>}	105.7385	0.764	2	105.7385	0.584	2	106.6123	1.397	8	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]TbN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Tb)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Tb<15>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]TbN)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Tb){1|C<3>,1|N<3>,3|H<1>}	106.1980	0.137	2	106.1980	0.019	2	106.6123	1.397	8	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]SS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H){2|C<3>,2|H<1>,2|S<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]SS)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H){2|C<3>,2|H<1>,2|S<1>}	110.3620	0.000	1	110.3620	0.000	1	110.4380	0.006	3	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]NO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]NO)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	110.4760	0.057	2	110.4760	0.003	2	110.4380	0.006	3	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:P[5,6]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]P[5,6]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(P[5,6]N[5]N[6]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]P[5,6]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]P[5,6]H){2|H<1>,2|N<2>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(P[5,6]N[5]N[6]2)(H){1|H<1>,2|P<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]P[5,6]H){2|H<1>,2|N<2>,4|C<3>}	111.0650	0.000	1	111.0650	0.000	1	111.0650	0.000	1	110.7195	4.882	40	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,4|H<1>}	109.5060	0.000	1	109.5060	0.000	1	110.0017	0.200	3	110.0017	0.200	3	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	110.3730	0.000	1	110.3730	0.000	1	110.0017	0.200	3	110.0017	0.200	3	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){3|C<3>,3|H<1>}	110.1260	0.000	1	110.1260	0.000	1	110.0017	0.200	3	110.0017	0.200	3	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	111.2280	0.000	1	111.2280	0.000	1	110.5195	1.004	2	110.9878	0.253	17	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]C[5]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	109.8110	0.000	1	109.8110	0.000	1	110.5195	1.004	2	110.9878	0.253	17	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	110.9878	0.253	17	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H){2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	111.2093	0.204	10	111.2093	0.042	10	111.2093	0.042	10	110.9878	0.253	17	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	110.4325	0.817	2	110.4325	0.667	2	110.4325	0.667	2	110.9878	0.253	17	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	110.9650	0.000	1	111.1775	0.090	2	111.1775	0.090	2	110.9878	0.253	17	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	111.3900	0.000	1	111.1775	0.090	2	111.1775	0.090	2	110.9878	0.253	17	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2O[5])(H)	C[5,6a](C[5,5]C[3x5]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2O[5])(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[3x5]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,6|H<1>}	111.3310	0.000	1	111.3310	0.000	1	111.3310	0.000	1	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	111.4200	0.000	1	111.4200	0.000	1	110.9049	0.732	15	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	109.4230	0.000	1	109.4230	0.000	1	110.9049	0.732	15	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	110.8780	0.000	1	110.8780	0.000	1	110.9049	0.732	15	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	110.8660	0.064	2	110.5060	0.391	3	110.9049	0.732	15	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	109.7860	0.000	1	110.5060	0.391	3	110.9049	0.732	15	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	110.1030	0.000	1	110.1740	0.010	2	110.9049	0.732	15	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	110.2450	0.000	1	110.1740	0.010	2	110.9049	0.732	15	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	110.2460	0.000	1	111.1107	0.692	4	110.9049	0.732	15	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	111.3990	0.734	3	111.1107	0.692	4	110.9049	0.732	15	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	111.2800	0.000	1	111.2800	0.000	1	110.9049	0.732	15	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	112.3000	0.000	1	112.3000	0.000	1	110.9049	0.732	15	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]I)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]I)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|I<1>,2|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,1|N<3>,5|H<1>}	111.9640	0.000	1	111.9640	0.000	1	110.9049	0.732	15	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	110.9690	0.000	2	110.9690	0.000	2	110.7590	0.135	4	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Ru)(H)	C[5,6a](C[5,6]C[5,6]C[6]Ru)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Ru<11>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Ru)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]Ru)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	110.2110	0.000	1	110.2110	0.000	1	110.7590	0.135	4	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,3|C<3>,5|H<1>}	110.8870	0.000	1	110.8870	0.000	1	110.7590	0.135	4	110.8564	0.581	21	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:2:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:Se[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Se[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Se[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(Se[5]N[5]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,2|H<1>}	111.5050	0.246	2	111.5050	0.061	2	111.5050	0.061	2	111.5050	0.061	2	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C-4:C[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	105.9460	0.000	1	105.9460	0.000	1	106.2715	0.212	2	105.9397	0.162	6	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C-4:C[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(C[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(C[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	106.5970	0.000	1	106.5970	0.000	1	106.2715	0.212	2	105.9397	0.162	6	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C-4:N[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(N[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(N[5]N[5]){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,2|H<1>}	105.7027	0.320	3	105.7027	0.102	3	105.7027	0.102	3	105.9397	0.162	6	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:2:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:N-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]N){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(NC){1|H<1>,1|N<3>,1|S<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	105.9870	0.000	1	105.9870	0.000	1	105.9870	0.000	1	105.9397	0.162	6	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:2:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	109.5947	0.120	3	109.5947	0.014	3	109.5947	0.014	3	109.5947	0.014	3	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:2:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:N-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(NO)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]N){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(NO){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	108.7685	1.501	2	108.7685	2.254	2	108.7685	2.254	2	109.1302	1.772	5	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:2:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	109.3713	1.483	3	109.3713	2.199	3	109.3713	2.199	3	109.1302	1.772	5	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:B-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(BC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(BC[6a]C){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<3>,2|C<3>,3|H<1>}	113.7660	0.652	2	113.7660	0.425	2	113.9533	0.318	3	112.6900	10.945	13	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:B-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(BC[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(BC[6a]2){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	114.3280	0.000	1	114.3280	0.000	1	113.9533	0.318	3	112.6900	10.945	13	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,3|H<1>}	107.2850	0.000	1	107.1800	0.022	2	107.1800	0.022	2	112.6900	10.945	13	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,3|H<1>}	107.0750	0.000	1	107.1800	0.022	2	107.1800	0.022	2	112.6900	10.945	13	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]C)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]C)(CCO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|H<1>,4|C<3>}	113.2430	0.000	1	113.2430	0.000	1	113.2430	0.000	1	112.6900	10.945	13	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ga[5]-4:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Ga[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]O[5]CC)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Ga[5]C){1|C<3>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]O[5]CC)(CCC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5]){2|C<3>,2|C<4>,2|H<1>}	112.9930	0.000	1	112.9930	0.000	1	112.9930	0.000	1	112.6900	10.945	13	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2O[5])(CN[5a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2O[5])(CN[5a]O){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5]){2|H<1>,4|C<3>}	109.5730	0.000	1	109.5730	0.000	1	109.7315	0.050	2	112.6900	10.945	13	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]O[5]CC)(CC[5a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]O[5]CC)(CC[5a]O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5]){2|C<3>,2|C<4>,2|H<1>}	109.8900	0.000	1	109.8900	0.000	1	109.7315	0.050	2	112.6900	10.945	13	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:B[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]2H)(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]2H)(C[5]S[5]S){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<4>,1|C<3>,1|S<1>,2|H<1>}	113.1170	0.000	1	113.1170	0.000	1	113.1170	0.000	1	112.6900	10.945	13	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:In[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]Cl2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]Cl2)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){2|Cl<1>,2|C<3>,2|H<1>}	116.3700	0.000	1	116.3700	0.000	1	116.6447	0.059	3	112.6900	10.945	13	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:In[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]II)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|C<4>,2|I<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]II)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){2|C<3>,2|H<1>,2|I<1>}	116.7380	0.000	1	116.7380	0.000	1	116.6447	0.059	3	112.6900	10.945	13	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:In[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]IN)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){1|I<1>,1|N<4>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]IN)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){1|I<1>,1|N<4>,2|C<3>,2|H<1>}	116.8260	0.000	1	116.8260	0.000	1	116.6447	0.059	3	112.6900	10.945	13	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(CC[3x6]HH)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(CC[3x6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	106.1190	0.000	1	106.1190	0.000	1	106.2013	0.025	3	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(CC[6,6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	106.2425	0.200	2	106.2425	0.040	2	106.2013	0.025	3	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	109.9420	0.000	1	110.0990	0.049	2	110.3958	0.157	11	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	110.2560	0.000	1	110.0990	0.049	2	110.3958	0.157	11	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	109.8460	0.000	1	109.8460	0.000	1	110.3958	0.157	11	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,4|H<1>}	110.0790	0.000	1	110.0790	0.000	1	110.3958	0.157	11	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	110.5893	0.349	3	110.5893	0.122	3	110.3958	0.157	11	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(CHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(CHO){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,4|C<3>}	110.3250	0.000	1	110.3250	0.000	1	110.3958	0.157	11	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(CC[6a]O){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,4|C<3>}	111.1410	0.000	1	111.1410	0.000	1	110.3958	0.157	11	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	110.4985	0.028	2	110.4985	0.001	2	110.3958	0.157	11	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(C[5]C[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(C[5]C[5]N[5]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,3|H<1>}	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]2C)(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]2C)(C[5]N[5]Pd){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	106.1315	0.381	2	106.1315	0.145	2	106.0880	0.156	19	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]Cr)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Cr<6>,1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]Cr){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Cr<6>,1|C<3>,2|H<1>,3|C<4>}	106.6285	0.773	2	106.6285	0.597	2	106.0880	0.156	19	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Ir<4>,1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]Ir){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<4>,1|C<3>,1|C<4>,2|H<1>}	105.8623	0.344	3	106.0142	0.080	6	106.0880	0.156	19	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Ir<6>,1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]Ir){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	106.1660	0.112	3	106.0142	0.080	6	106.0880	0.156	19	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]Mo)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Mo<6>,1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]Mo){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Mo<6>,1|C<3>,2|H<1>,3|C<4>}	106.0010	0.000	1	106.0010	0.000	1	106.0880	0.156	19	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]W)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|C<3>,1|W<6>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2Fe)(C[5]N[5]W){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|C<3>,1|W<6>,2|H<1>,3|C<4>}	105.9820	0.143	2	105.9820	0.020	2	106.0880	0.156	19	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]H){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	106.7290	0.000	1	106.7290	0.000	1	106.0880	0.156	19	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Co<6>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,2|C<4>,2|H<1>}	105.8746	0.299	5	105.8746	0.089	5	106.0880	0.156	19	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[3x6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]H){2|C<3>,4|C<4>,7|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	106.6090	0.000	1	106.6090	0.000	1	106.5535	0.006	2	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[3x6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]Pd){2|C<3>,4|C<4>,7|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	106.4980	0.000	1	106.4980	0.000	1	106.5535	0.006	2	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[3x6]-4:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|Ir<5>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]Ir){3|C<3>,3|C<4>,7|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<5>,1|C<4>,2|H<1>,3|C<3>}	106.8680	0.047	2	106.8680	0.002	2	106.8680	0.002	2	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	109.2200	0.499	2	109.2200	0.249	2	109.2733	0.133	3	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.3800	0.000	1	109.3800	0.000	1	109.2733	0.133	3	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	106.9479	0.245	8	106.9041	0.084	10	106.7045	0.288	17	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	106.7290	0.506	2	106.9041	0.084	10	106.7045	0.288	17	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ir<6>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]Ir){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	106.7203	0.040	3	106.7203	0.002	3	106.7045	0.288	17	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]Pd){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	105.4765	0.579	2	105.4765	0.335	2	106.7045	0.288	17	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|S<1>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]S){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	106.9105	0.093	2	106.9105	0.009	2	106.7045	0.288	17	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:Ga[5,5]-4:C[6a]-3:	O[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]C)(C[6a]C[6a]2)	C[5,6a](O[5,5]C[5,6a]Ga[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]C)(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	C[5,6a](O[5,5]C[5,6a]Ga[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	116.4210	0.557	2	116.4210	0.310	2	116.4210	0.310	2	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:In[4,5]-4:C[6a]-3:	C[5,6a]-3:O[4,5]-3:C[6a]-3:	C[5,6a](C[5,6a]O[4,5]C[6a])(N[5]In[4,5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(In[4,5]O[4,5]2C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(O[4,5]In[4,5]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]O[4,5]C[6a])(N[5]In[4,5]C[6a])(C[6a]C[6a]H){1|In<4>,1|O<3>,3|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(In[4,5]O[4,5]2C)(C[6a]C[6a]2){1|In<4>,1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(O[4,5]In[4,5]2)(C[6a]C[6a]C){1|N<3>,1|O<3>,2|C<3>,2|C<4>,2|H<1>}	117.8250	0.040	2	117.8250	0.002	2	117.8250	0.002	2	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H){1|Se<1>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|Se<1>,2|H<1>,3|C<3>}	111.9520	0.000	1	111.9520	0.000	1	111.9520	0.000	1	108.0715	8.676	64	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	109.4223	0.459	6	109.4223	0.211	6	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.9890	0.000	1	110.4935	0.509	2	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	110.9980	0.000	1	110.4935	0.509	2	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[6])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[6])(N[5]C[5]C){3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	109.1120	0.000	1	109.1120	0.000	1	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]H)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|B<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]H)(COO){2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|B<3>,2|C<3>,3|H<1>}	110.1180	0.000	1	110.1180	0.000	1	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(COO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6])(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	109.4960	0.767	2	109.4960	0.588	2	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|F<1>,2|H<1>,3|C<3>}	109.5150	0.000	1	109.5150	0.000	1	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.3795	0.153	2	109.3795	0.024	2	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|H<1>,3|C<3>}	109.3780	0.000	1	109.3780	0.000	1	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[5]O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.5890	0.000	1	109.5890	0.000	1	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	108.5330	0.000	1	108.5330	0.000	1	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	109.3460	0.000	1	109.3460	0.000	1	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.5480	0.174	2	109.5480	0.030	2	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,4|H<1>}	109.1460	0.000	1	109.1460	0.000	1	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.6370	0.184	3	109.6370	0.034	3	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,4|H<1>}	109.4490	0.000	1	109.8875	0.385	2	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,3|H<1>}	110.3260	0.000	1	109.8875	0.385	2	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	109.7760	0.000	1	109.8903	0.140	6	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	110.1405	0.650	2	109.8903	0.140	6	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.7617	0.212	3	109.8903	0.140	6	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,2|C<3>,3|H<1>}	109.7740	0.000	1	109.7740	0.000	1	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|C<3>,3|H<1>}	109.6150	0.000	1	109.3410	0.150	2	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,2|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|C<3>,3|H<1>}	109.0670	0.000	1	109.3410	0.150	2	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(COO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.0635	0.220	2	109.0635	0.048	2	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Si<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(COO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|Si<4>,2|C<3>,2|H<1>}	110.0180	0.000	1	110.0180	0.000	1	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CCO){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	109.5640	0.000	1	109.5640	0.000	1	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(COO){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|H<1>,3|C<3>}	109.6095	0.173	2	109.6095	0.030	2	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	110.2430	0.000	1	110.2430	0.000	1	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	109.3210	0.000	1	109.3210	0.000	1	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	109.5023	0.258	3	109.5023	0.067	3	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	109.9580	0.000	1	109.9580	0.000	1	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	109.4205	0.023	2	109.4205	0.001	2	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	109.4140	0.099	2	109.4140	0.010	2	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|H<1>,3|C<3>}	110.5440	0.000	1	110.5440	0.000	1	109.5992	0.209	53	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	108.9500	0.000	1	108.9500	0.000	1	108.9500	0.000	1	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Ir)(N[5]C[5]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Ir)(N[5]C[5]C[6]){1|C<3>,1|N<2>,1|N<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2){1|Ir<8>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ir<8>,2|C<3>,3|H<1>}	109.0300	0.000	1	109.0300	0.000	1	109.0180	0.000	2	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Rh)(N[5]C[5]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Rh)(N[5]C[5]C[6]){1|C<3>,1|N<2>,1|N<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2){1|Rh<8>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Rh<8>,2|C<3>,3|H<1>}	109.0060	0.000	1	109.0060	0.000	1	109.0180	0.000	2	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	108.3525	0.894	2	108.3525	0.800	2	107.6728	0.585	5	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NOO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,4|H<1>}	107.2197	0.016	3	107.2197	0.000	3	107.6728	0.585	5	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:N-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH){2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	110.4560	0.000	1	110.4560	0.000	1	110.4560	0.000	1	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:P-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(POO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(POO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,4|H<1>}	110.3360	0.585	2	110.3360	0.343	2	110.3360	0.343	2	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	109.4620	0.529	65	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[4,5]-4:C-3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]H)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]H)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	110.4663	0.285	3	110.4663	0.081	3	110.5210	0.066	4	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[4,5]-4:C-3:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]O)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	110.6850	0.000	1	110.6850	0.000	1	110.5210	0.066	4	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2N)(C[6a]C[6a]H){3|H<1>,6|C<3>}	110.4715	0.019	2	110.4715	0.000	2	110.4715	0.000	2	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO){3|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	109.2015	0.368	4	109.2015	0.135	4	109.1944	0.102	5	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	109.1660	0.000	1	109.1660	0.000	1	109.1944	0.102	5	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|C<4>,5|H<1>}	109.2950	0.463	3	109.2950	0.214	3	109.1689	0.260	7	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	108.7330	0.730	2	108.7330	0.533	2	109.1689	0.260	7	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CCO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	109.2540	0.000	1	109.2540	0.000	1	109.1689	0.260	7	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	109.5770	0.000	1	109.5770	0.000	1	109.1689	0.260	7	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,7|H<1>}	110.5260	0.000	1	110.5260	0.000	1	110.5260	0.000	1	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CNN)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]PdC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|Pd<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CNN){1|Pd<4>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]PdC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	109.3960	0.000	1	109.3960	0.000	1	109.4843	0.097	3	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	109.2260	0.000	1	109.2260	0.000	1	109.4843	0.097	3	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(CCO){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	109.8310	0.000	1	109.8310	0.000	1	109.4843	0.097	3	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]CuC)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CCO){1|Cu<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]CuC)(C[6a]C[6a]2){4|C<3>,4|H<1>}	115.0780	0.349	4	115.0780	0.122	4	115.0780	0.122	4	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	108.7710	0.478	2	108.9597	0.221	3	108.9597	0.221	3	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	109.3370	0.000	1	108.9597	0.221	3	108.9597	0.221	3	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	109.5540	0.000	1	109.5540	0.000	1	109.5540	0.000	1	110.2968	4.062	30	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[3,5]-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO)	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[4,5]-4:C-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]C)(COO)	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]C)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	110.4320	0.000	1	110.4320	0.000	1	110.4320	0.000	1	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CCO)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CCO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	110.5750	0.000	1	110.5750	0.000	1	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCO)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCO){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.4230	0.000	1	109.4230	0.000	1	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|H<1>,1|N<3>,2|C<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	109.6662	0.139	4	109.7292	0.034	5	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	109.9810	0.000	1	109.7292	0.034	5	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCO)	C[5,6a](C[5,5]C[5,5]C[5]F)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|F<1>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCO){1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]F)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.6450	0.000	1	109.6450	0.000	1	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	108.9930	0.000	1	108.9930	0.000	1	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,5]C[5,5]C[5,6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|C<4>,1|H<1>,1|S<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	109.7210	0.000	1	109.7210	0.000	1	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<4>,4|C<3>,5|H<1>}	108.9090	0.000	1	108.9090	0.000	1	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.6010	0.000	1	109.6010	0.000	1	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.5750	0.000	1	109.4626	0.006	5	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.4345	0.057	4	109.4626	0.006	5	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.3675	0.073	2	109.3675	0.005	2	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.8950	0.369	2	109.8950	0.136	2	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	110.0480	0.000	1	110.0480	0.000	1	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	108.7440	0.283	2	108.7440	0.080	2	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(CC[6a]O)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	110.6393	0.493	3	110.6393	0.243	3	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	109.3940	0.000	1	109.3940	0.000	1	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	110.0510	0.000	1	110.0510	0.000	1	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[6a]O)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	109.0570	0.000	1	109.0570	0.000	1	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	109.4060	0.000	1	109.4060	0.000	1	109.6359	0.287	31	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>,4|C<4>}	109.0920	0.007	2	109.0920	0.000	2	109.2084	0.115	8	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.1520	0.000	1	109.1520	0.000	1	109.2084	0.115	8	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	108.8950	0.000	1	108.8950	0.000	1	109.2084	0.115	8	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(COO)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(COO){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,4|C<3>,4|H<1>}	109.9740	0.000	1	109.9740	0.000	1	109.2084	0.115	8	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCO)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.9610	0.000	1	108.9610	0.000	1	109.2084	0.115	8	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]I)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]I)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){1|I<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|I<1>,2|C<3>,3|C<4>,3|H<1>}	109.3620	0.000	1	109.3620	0.000	1	109.2084	0.115	8	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]P)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]P)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|P<4>,3|C<4>}	109.1390	0.000	1	109.1390	0.000	1	109.2084	0.115	8	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	109.8230	0.110	2	109.8230	0.012	2	109.8230	0.012	2	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCO)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCO){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	109.8100	0.000	1	109.8100	0.000	1	109.4930	0.201	2	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(COO)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(COO){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	109.1760	0.000	1	109.1760	0.000	1	109.4930	0.201	2	109.5627	0.277	45	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	107.0840	0.000	1	107.0840	0.000	1	107.0840	0.000	1	113.0927	17.283	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(CCHH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	114.1490	0.000	1	114.1490	0.000	1	114.1490	0.000	1	113.0927	17.283	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	114.5160	0.000	1	114.5160	0.000	1	114.5160	0.000	1	113.0927	17.283	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	113.0927	17.283	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]C)(CCHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	114.5730	0.000	1	114.5730	0.000	1	114.5730	0.000	1	113.0927	17.283	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]CS)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Si[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]CS)(CC[6a]HH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Si[5]){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	116.9800	0.000	1	116.9800	0.000	1	116.9605	0.001	2	113.0927	17.283	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]SeC)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Si[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]S[5]SeC)(CC[6a]HH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Si[5]){1|Se<2>,1|C<3>,2|C<4>,2|H<1>}	116.9410	0.000	1	116.9410	0.000	1	116.9605	0.001	2	113.0927	17.283	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[3,5]-4:S-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[3,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[3,5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(SC[6a]OO){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	111.7300	0.000	1	111.7300	0.000	1	111.7300	0.000	1	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	108.1003	0.424	3	108.4544	0.328	5	108.5518	0.319	6	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	108.9855	0.104	2	108.4544	0.328	5	108.5518	0.319	6	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]N){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.0390	0.000	1	109.0390	0.000	1	108.5518	0.319	6	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	110.0170	0.000	1	110.0170	0.000	1	110.0170	0.000	1	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]S){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|S<4>,3|C<3>}	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(CH3)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	110.8130	0.000	1	110.8130	0.000	1	110.8130	0.000	1	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(CCHH){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	111.5140	0.000	1	111.5140	0.000	1	111.8367	0.067	4	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	111.8950	0.000	1	111.8950	0.000	1	111.8367	0.067	4	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	112.1390	0.000	1	112.1390	0.000	1	111.8367	0.067	4	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.7990	0.000	1	111.7990	0.000	1	111.8367	0.067	4	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	108.6225	0.378	2	108.6225	0.143	2	108.4653	0.304	6	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	109.1260	0.000	1	109.1260	0.000	1	108.4653	0.304	6	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	108.7540	0.000	1	108.7540	0.000	1	108.4653	0.304	6	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CN[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CN[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	107.8335	0.083	2	107.8335	0.007	2	108.4653	0.304	6	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CF3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CF3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	110.3090	0.000	1	110.3090	0.000	1	110.1383	1.296	3	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	111.1820	0.000	1	111.1820	0.000	1	110.1383	1.296	3	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,4|H<1>}	108.9240	0.000	1	108.9240	0.000	1	110.1383	1.296	3	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S){1|S<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(SC[6a]OO){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S){1|S<4>,2|C<3>,3|H<1>}	109.2395	0.148	2	109.2395	0.022	2	109.2395	0.022	2	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|Cl<1>,1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|Cl<1>,1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	113.5380	1.646	2	113.5380	2.710	2	113.9670	0.677	12	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Co2)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Co<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Co2)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Co<5>,1|C<3>,1|C<4>,2|H<1>}	113.9395	0.682	2	113.9395	0.466	2	113.9670	0.677	12	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Ru2)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Ru<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Ru2)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Ru<4>,1|C<3>,1|C<4>,2|H<1>}	113.6465	0.698	2	114.0811	0.543	8	113.9670	0.677	12	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Ru2)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]Ru2)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	114.2260	0.750	6	114.0811	0.543	8	113.9670	0.677	12	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5,5]-4:C-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]N)(CH3)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]N)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	112.1220	0.100	2	112.1220	0.010	2	112.2823	0.082	3	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5,5]-4:C-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	112.6030	0.000	1	112.6030	0.000	1	112.2823	0.082	3	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C){1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C){1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	110.7540	0.412	2	110.7540	0.169	2	110.7540	0.169	2	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]H)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]H)(CHHP){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<4>,2|C<3>,3|H<1>}	112.4215	0.298	2	112.4215	0.089	2	112.9920	0.452	28	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Rh)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Rh<6>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Rh)(CHHP){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Rh<6>,1|C<4>,2|C<3>,2|H<1>}	114.1107	0.087	3	114.1107	0.008	3	112.9920	0.452	28	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<5>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<5>,1|C<3>,2|C<4>,2|H<1>}	112.5810	0.681	3	112.9960	0.998	4	112.9920	0.452	28	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<6>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<6>,1|C<3>,2|C<4>,2|H<1>}	114.2410	0.000	1	112.9960	0.998	4	112.9920	0.452	28	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiN)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Li<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiN)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Li<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	112.3382	0.217	6	112.3382	0.047	6	112.9920	0.452	28	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Br)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Br<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Br)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Br<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	112.7507	0.298	4	112.7507	0.089	4	112.9920	0.452	28	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	113.2670	0.116	3	113.4300	0.080	5	112.9920	0.452	28	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	113.6745	0.306	2	113.4300	0.080	5	112.9920	0.452	28	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Cl)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]Cl)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	113.1815	0.046	2	113.1815	0.002	2	112.9920	0.452	28	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[6]N[5]Cl)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[6]N[5]Cl)(CCHH){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	113.0365	0.223	2	113.0365	0.050	2	112.9920	0.452	28	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:Ga[5,5]-4:C[5]-4:	O[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]N)(C[5]C[5]2H)	C[5,6a](O[5,5]C[5,6a]Ga[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]N)(C[5]C[5]2H){3|C<4>,4|C<3>,5|H<1>}	C[5,6a](O[5,5]C[5,6a]Ga[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	118.8865	0.391	2	118.8865	0.153	2	118.8865	0.153	2	112.0214	5.249	75	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,2|H<1>}	109.8250	0.000	1	109.8250	0.000	1	110.5521	0.749	16	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	111.8400	0.000	1	111.8400	0.000	1	110.5521	0.749	16	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	111.8280	0.000	1	111.8280	0.000	1	110.5521	0.749	16	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	109.2620	0.000	1	109.2620	0.000	1	110.5521	0.749	16	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCCH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	110.4540	0.000	1	110.4540	0.000	1	110.5521	0.749	16	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	110.7920	0.000	1	111.0335	0.117	2	110.5521	0.749	16	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	111.2750	0.000	1	111.0335	0.117	2	110.5521	0.749	16	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	109.9205	0.183	2	109.9205	0.034	2	110.5521	0.749	16	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,4|H<1>}	110.0670	0.000	1	110.0670	0.000	1	110.5521	0.749	16	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	110.7330	0.000	1	110.7330	0.000	1	110.5521	0.749	16	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.1200	0.000	1	109.1200	0.000	1	110.5521	0.749	16	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,2|H<1>}	110.6250	0.000	1	110.6250	0.000	1	110.5521	0.749	16	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,3|H<1>}	111.4790	0.000	1	111.4790	0.000	1	110.5521	0.749	16	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	110.1480	0.000	1	110.1480	0.000	1	110.5521	0.749	16	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3){1|H<1>,2|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.5450	0.000	1	111.5450	0.000	1	110.5521	0.749	16	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]C[5]HH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	109.2520	0.000	1	109.2520	0.000	1	109.2520	0.000	1	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	110.4770	0.000	1	110.4770	0.000	1	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	110.7130	0.000	1	110.7130	0.000	1	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	108.7150	0.000	1	108.7150	0.000	1	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	110.1225	0.228	2	109.8028	0.420	6	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	108.8620	0.000	1	109.8028	0.420	6	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	109.9033	0.681	3	109.8028	0.420	6	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	110.4725	0.185	2	110.5217	0.020	4	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	110.6600	0.000	1	110.5217	0.020	4	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	110.4820	0.000	1	110.5217	0.020	4	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	109.9770	0.000	1	109.9770	0.000	1	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	110.7220	0.000	1	110.7600	0.003	2	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	110.7980	0.000	1	110.7600	0.003	2	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	109.2755	0.117	2	109.2755	0.014	2	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|S<4>,4|H<1>}	108.7700	0.000	1	108.7700	0.000	1	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<2>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|S<4>,4|H<1>}	110.4330	0.000	1	110.4330	0.000	1	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|S<2>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|S<4>,4|H<1>}	110.2180	0.000	1	110.2180	0.000	1	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<4>,1|O<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO){1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,1|S<4>,3|H<1>}	108.4995	0.499	2	108.4995	0.249	2	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	107.8620	0.000	1	107.8620	0.000	1	109.7975	0.790	24	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	111.0910	0.000	1	111.0910	0.000	1	111.3480	0.091	3	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,2|H<1>,5|C<3>}	111.2730	0.000	1	111.2730	0.000	1	111.3480	0.091	3	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	111.6800	0.000	1	111.6800	0.000	1	111.3480	0.091	3	110.1652	0.936	44	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	111.1870	0.000	1	111.1870	0.000	1	111.1870	0.000	1	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.5950	0.000	1	110.5950	0.000	1	110.6930	0.019	2	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3){1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	110.7910	0.000	1	110.7910	0.000	1	110.6930	0.019	2	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	109.7545	0.056	2	109.7545	0.003	2	109.8458	0.359	27	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]Br){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	109.4485	0.410	4	109.4485	0.168	4	109.8458	0.359	27	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.6350	0.000	1	109.3077	0.425	3	109.8458	0.359	27	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.1440	0.830	2	109.3077	0.425	3	109.8458	0.359	27	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.3490	0.000	1	110.0339	0.343	18	109.8458	0.359	27	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	110.5570	0.000	1	110.0339	0.343	18	109.8458	0.359	27	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.2215	0.004	2	110.0339	0.343	18	109.8458	0.359	27	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.0915	0.120	4	110.0339	0.343	18	109.8458	0.359	27	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	110.2200	0.000	1	110.0339	0.343	18	109.8458	0.359	27	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	110.1740	0.000	1	110.0339	0.343	18	109.8458	0.359	27	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.7703	0.983	6	110.0339	0.343	18	109.8458	0.359	27	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.0030	0.000	1	110.0339	0.343	18	109.8458	0.359	27	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	109.8770	0.000	1	110.0339	0.343	18	109.8458	0.359	27	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	110.9930	0.000	1	110.9930	0.000	1	110.9930	0.000	1	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HN)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	110.7980	0.351	2	110.7980	0.123	2	110.7980	0.123	2	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|B<3>,2|C<4>,3|C<3>,3|H<1>}	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[3x6]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[3x6]2C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,7|C<4>}	116.3390	0.000	1	116.3390	0.000	1	115.7225	0.760	2	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HP)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]RhO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|O<2>,1|P<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HP)(CCHH){1|Rh<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]RhO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	115.1060	0.000	1	115.1060	0.000	1	115.7225	0.760	2	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,5|H<1>}	110.6230	0.000	1	110.6230	0.000	1	109.8785	1.109	2	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|O<2>,6|H<1>}	109.1340	0.000	1	109.1340	0.000	1	109.8785	1.109	2	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|B<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|S<4>,2|H<1>,2|O<2>}	109.3000	0.000	1	109.3000	0.000	1	109.8150	0.530	2	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	110.3300	0.000	1	110.3300	0.000	1	109.8150	0.530	2	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	110.1470	0.000	1	110.1470	0.000	1	110.1470	0.000	1	110.3076	1.982	41	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[4,5]-4:C-4:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]H)(CCHH)	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]H)(CCHH){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	110.9960	0.000	1	110.9960	0.000	1	110.9960	0.000	1	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[4,5]-4:S-4:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a,6a]F)(N[5]C[4,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO)	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a,6a]F)(N[5]C[4,5]S){1|F<1>,1|H<1>,2|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H){1|C<4>,1|S<4>,2|C<3>,2|F<1>,2|H<1>}	109.1250	0.000	1	109.1250	0.000	1	109.3825	0.133	2	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[4,5]-4:S-4:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO)	C[5,6a](C[4,5]C[4,5]C[6a]C[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]S){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[4,5]C[4,5]C[6a]C[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|S<4>,3|C<3>,4|H<1>}	109.6400	0.000	1	109.6400	0.000	1	109.3825	0.133	2	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(CH3)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	111.3210	0.000	1	111.3210	0.000	1	111.3210	0.000	1	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|Br<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	112.4220	0.000	1	112.4220	0.000	1	110.6525	0.581	21	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	110.9510	0.000	1	110.9510	0.000	1	110.6525	0.581	21	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	111.4030	0.000	1	110.9762	0.084	4	110.6525	0.581	21	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	110.8465	0.087	2	110.9762	0.084	4	110.6525	0.581	21	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	110.8090	0.000	1	110.9762	0.084	4	110.6525	0.581	21	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	110.4445	0.428	2	110.4445	0.183	2	110.6525	0.581	21	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Zr)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]Zr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Zr<12>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]Zr)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]Zr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	109.6230	0.000	1	109.6230	0.000	1	110.6525	0.581	21	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	110.2840	0.000	1	110.8375	0.613	2	110.6525	0.581	21	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.3910	0.000	1	110.8375	0.613	2	110.6525	0.581	21	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.5810	0.000	1	110.5810	0.000	1	110.6525	0.581	21	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.4560	0.000	1	111.4560	0.000	1	110.6525	0.581	21	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	110.5770	0.083	2	110.8432	0.132	4	110.6525	0.581	21	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	111.1095	0.325	2	110.8432	0.132	4	110.6525	0.581	21	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	108.9570	0.000	1	109.5243	0.271	3	110.6525	0.581	21	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|C<4>,4|H<1>}	109.8080	0.245	2	109.5243	0.271	3	110.6525	0.581	21	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	110.2540	0.000	1	110.2540	0.000	1	110.6525	0.581	21	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]O[5]H)(SC[6a]OO)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]O[5]H)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|O<2>,3|C<3>,5|H<1>}	110.4090	0.000	1	110.4090	0.000	1	110.4090	0.000	1	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	110.5140	0.000	1	110.5140	0.000	1	109.5918	1.308	11	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	111.8170	0.000	1	111.8170	0.000	1	109.5918	1.308	11	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	111.4230	0.000	1	111.4230	0.000	1	109.5918	1.308	11	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	109.6830	0.000	1	109.6830	0.000	1	109.5918	1.308	11	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	108.7600	0.147	4	108.7600	0.022	4	109.5918	1.308	11	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	109.0110	0.193	3	109.0110	0.037	3	109.5918	1.308	11	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	109.6490	0.000	1	109.6080	0.006	4	110.2043	0.474	11	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Cr)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	109.5943	0.093	3	109.6080	0.006	4	110.2043	0.474	11	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]HH){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	111.2110	0.000	1	111.2110	0.000	1	110.2043	0.474	11	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	111.5520	0.000	1	111.5520	0.000	1	110.2043	0.474	11	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	110.4020	0.000	1	110.4020	0.000	1	110.2043	0.474	11	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	110.6130	0.000	1	110.6130	0.000	1	110.2043	0.474	11	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCHH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCHH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	109.7150	0.000	1	109.7150	0.000	1	110.2043	0.474	11	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	110.0710	0.000	1	110.1610	0.016	2	110.2043	0.474	11	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	110.2510	0.000	1	110.1610	0.016	2	110.2043	0.474	11	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	110.4820	0.000	1	110.7940	0.195	2	109.6722	1.794	4	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	111.1060	0.000	1	110.7940	0.195	2	109.6722	1.794	4	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N)(SC[6a]OO)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N)(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	108.8280	0.000	1	108.8280	0.000	1	109.6722	1.794	4	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO)	C[5,6a](C[5,6]C[5,6]C[6]Cl)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]Cl)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,1|S<4>,5|H<1>}	108.2730	0.000	1	108.2730	0.000	1	109.6722	1.794	4	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	111.1170	0.000	1	111.1170	0.000	1	111.0320	0.014	2	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	110.9470	0.000	1	110.9470	0.000	1	111.0320	0.014	2	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	C[5,6a](C[5,5]C[5,5a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	109.3540	0.000	2	109.3540	0.000	2	109.3540	0.000	2	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	111.0760	0.000	1	111.0760	0.000	1	111.0760	0.000	1	110.2366	0.915	57	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:5:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:B-5:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(BN[5]ReHH)(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(BN[5]ReHH)(C[5]S[5]S){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<5>,1|C<3>,1|S<2>,2|H<1>}	112.5300	0.000	1	112.5300	0.000	1	113.1241	0.282	9	113.3438	1.839	15	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:5:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:B-5:C[5]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(BN[5]RuHH)(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(BN[5]RuHH)(C[5]S[5]S){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<5>,1|C<3>,1|S<2>,2|H<1>}	113.1984	0.515	8	113.1984	0.265	8	113.1241	0.282	9	113.3438	1.839	15	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:5:3:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-5:P-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]P[5]P)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2O[5]H)(PC[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]P[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]P[5]P){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2O[5]H)(PC[6a]2){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]P[5]){1|P<3>,3|C<3>,3|H<1>}	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	113.3438	1.839	15	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:5:3:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:Ga[5,5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]O[5]2N)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5,5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]O[5]2N)(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5,5]){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	113.8675	0.240	4	113.8675	0.058	4	113.8675	0.058	4	113.3438	1.839	15	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:5:3:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:In[5]-5:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]Cl2N)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|Cl<1>,1|N<4>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]Cl2N)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){2|Cl<1>,1|N<4>,2|C<3>,2|H<1>}	116.5850	0.000	1	116.5850	0.000	1	116.5850	0.000	1	113.3438	1.839	15	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:5:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge-5:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C){1|C<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<5>,1|C<3>,1|C<4>,2|H<1>}	107.2090	0.000	1	107.0297	0.054	3	107.0297	0.054	3	107.1688	0.471	6	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:5:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge-5:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(GeN[5]2FF)(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<5>,1|C<3>,1|C<4>,2|H<1>}	106.9400	0.243	2	107.0297	0.054	3	107.0297	0.054	3	107.1688	0.471	6	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:5:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6]-5:N[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]OsO)(N[5]C[5]Os)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Os<10>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]OsO)(N[5]C[5]Os){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Os<10>,1|C<3>,1|C<5>,2|H<1>}	106.1170	0.000	1	106.1170	0.000	1	106.1170	0.000	1	107.1688	0.471	6	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:5:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:In[5]-5:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(In[5]N[5,6]O[5]Cl2)(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(In[5]N[5,6]O[5]Cl2)(C[5]C[6a]N[5]){1|N<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|In<5>,2|C<3>,2|H<1>}	107.9035	0.039	2	107.9035	0.002	2	107.9035	0.002	2	107.1688	0.471	6	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:5:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5,5]-5:C-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	111.8345	0.238	2	111.6300	0.110	6	111.5881	0.087	12	111.7477	0.172	18	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:5:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5,5]-5:C-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){2|C<3>,2|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HN)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	111.5277	0.351	4	111.6300	0.110	6	111.5881	0.087	12	111.7477	0.172	18	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:5:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5,5]-5:C-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HO)(CH3)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]HO)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	111.5462	0.277	6	111.5462	0.077	6	111.5881	0.087	12	111.7477	0.172	18	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:5:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-5:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Pd2)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){2|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Pd2)(CHHP){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){2|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	111.8218	0.333	4	111.8218	0.111	4	112.0670	0.211	6	111.7477	0.172	18	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:5:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-5:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiSiN)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Li<4>,1|Si<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]LiSiN)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Li<4>,1|Si<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	112.5575	0.026	2	112.5575	0.001	2	112.0670	0.211	6	111.7477	0.172	18	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:6:3:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:Ga[3x5]-6:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[3x5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]N[5]2O[5]3)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[3x5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[3x5]C[6a])(C[6a]C[6a]H){2|C<4>,2|N<3>,2|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]N[5]2O[5]3)(C[6a]C[6a]2){10|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[3x5]){2|C<3>,2|H<1>,2|N<3>,2|O<2>}	114.0307	0.124	3	114.0307	0.015	3	114.0307	0.015	3	114.0307	0.015	3	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	110.2440	5.652	2	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	111.9250	0.000	1	111.9250	0.000	1	111.9250	0.000	1	110.2440	5.652	2	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	110.5025	0.049	2	110.5368	0.135	5	110.5368	0.135	5	110.5368	0.135	5	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	110.6500	0.696	2	110.5368	0.135	5	110.5368	0.135	5	110.5368	0.135	5	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	110.3790	0.000	1	110.5368	0.135	5	110.5368	0.135	5	110.5368	0.135	5	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	110.8280	0.259	2	110.8280	0.067	2	110.8280	0.067	2	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	110.5820	0.093	2	110.5820	0.009	2	110.5820	0.009	2	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	110.3730	0.000	1	110.3730	0.000	1	110.3730	0.000	1	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	110.9550	0.000	1	110.9550	0.000	1	110.7958	0.207	9	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	110.4847	0.068	3	110.4847	0.005	3	110.7958	0.207	9	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	111.2530	0.000	1	111.2530	0.000	1	110.7958	0.207	9	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	111.0740	0.943	2	111.0740	0.890	2	110.7958	0.207	9	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	110.6760	0.221	2	110.6760	0.049	2	110.7958	0.207	9	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](P[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|P<4>,5|C<3>}	C[5,6a](P[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	114.8600	0.000	1	114.8600	0.000	1	114.8600	0.000	1	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	110.7745	0.702	2	110.7745	0.493	2	110.8660	0.375	4	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	110.4110	0.000	1	110.4110	0.000	1	110.8660	0.375	4	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	111.5040	0.000	1	111.5040	0.000	1	110.8660	0.375	4	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(H){1|Br<1>,1|C<4>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|O<2>,3|C<3>,3|H<1>}	111.7270	0.000	1	111.7270	0.000	1	111.7270	0.000	1	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H)	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(H){3|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	111.1420	0.000	1	111.1420	0.000	1	110.9595	0.067	2	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H)	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(H){3|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	110.7770	0.000	1	110.7770	0.000	1	110.9595	0.067	2	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	110.8685	0.088	2	110.8685	0.008	2	110.9315	0.082	6	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	110.4210	0.000	1	110.4210	0.000	1	110.9315	0.082	6	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	111.1330	0.000	1	111.1330	0.000	1	110.9315	0.082	6	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	111.1490	0.000	2	111.1490	0.000	2	110.9315	0.082	6	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]H)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	111.4810	0.000	1	111.4810	0.000	1	111.4810	0.000	1	111.0136	0.724	29	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]N[5a,6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6]N[5a,6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(COO){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	107.2793	3.884	3	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6,6]C[5])(C[6a]C[6a]H)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6,6]C[5])(C[6a]C[6a]H){1|Rh<6>,1|C<3>,3|C<4>,3|H<1>}	N[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	106.1430	0.146	2	106.1430	0.021	2	106.1430	0.021	2	107.2793	3.884	3	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	109.7190	0.000	1	109.8378	0.825	5	109.8378	0.825	5	109.8378	0.825	5	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO){1|Br<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	109.8675	1.046	4	109.8378	0.825	5	109.8378	0.825	5	109.8378	0.825	5	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,4x6]-4:C[5,6a]-3:C-3:	C[5,5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(C[5,6a]C[5,6a]O[5])(N[5]C[5,4x6]C)	N[5](C[5,4x6]C[5,5,3x6]C[3x6]C[6,6])(C[5,6a]C[5,6a]2)(COO)	C[5,6a](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(C[5,6a]C[5,6a]O[5])(N[5]C[5,4x6]C){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	N[5](C[5,4x6]C[5,5,3x6]C[3x6]C[6,6])(C[5,6a]C[5,6a]2)(COO){2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5,6a](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:C[5,6a]-3:C-3:	C[3,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	109.0925	0.754	2	109.0925	0.569	2	109.0925	0.569	2	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:C[5,6a]-3:C-3:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	108.8005	0.837	2	108.8005	0.700	2	108.8005	0.700	2	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:C[5,6a]-3:C-3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[4,5]C[4,5,5]C[4]H)(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[4,5]C[4,5,5]C[4]H)(C[5,6a]C[5,6a]C[6a])(CCO){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	110.1720	0.000	1	110.1720	0.000	1	110.0080	0.054	2	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[4,5]-4:C[5,6a]-3:C-3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	N[5](C[4,5]C[4,5,5]C[6a]C[4])(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){2|C<3>,2|H<1>,3|C<4>}	N[5](C[4,5]C[4,5,5]C[6a]C[4])(C[5,6a]C[5,6a]C[6a])(CCO){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	109.8440	0.000	1	109.8440	0.000	1	110.0080	0.054	2	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	108.9080	0.000	1	108.9080	0.000	1	108.9410	0.002	2	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CCO){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	108.9740	0.000	1	108.9740	0.000	1	108.9410	0.002	2	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[3,5,6]-4:C[5,6a]-3:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,6]C)(C[6a]C[6a]H)	N[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	N[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.2730	0.000	1	109.2730	0.000	1	109.2730	0.000	1	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[3x5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H)	N[5](C[3x5,6]C[5,5,6]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[3x5,6]C[5,5,6]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	109.6370	0.000	1	109.6370	0.000	1	109.4005	0.112	2	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[3x5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H)	N[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	109.1640	0.000	1	109.1640	0.000	1	109.4005	0.112	2	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[4,5,5]-4:C[5,6a]-3:C-3:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5,5]C[6a])(N[5]C[4,5,5]C)(C[6a]C[6a]H)	N[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(N[5]C[4,5,5]C)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	N[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C-3:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5]C[4,5,6]C)(C[6a]C[6a]H)	N[5](C[4,5,6]C[4,5,6]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6a](C[4,5,6]C[4,5,6]C[4,5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5]C[4,5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	N[5](C[4,5,6]C[4,5,6]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[4,5,6]C[4,5,6]C[4,5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]C[6a])(C[6a]C[6a]H)	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]C[6a])(C[6a]C[6a]H){2|C<6>,3|C<3>,4|H<1>}	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<6>,4|B<6>,4|C<3>,4|H<1>}	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<6>,2|C<3>,3|H<1>,4|B<6>}	111.0995	0.378	2	111.0995	0.143	2	111.0995	0.143	2	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]C)(C[6a]C[6a]H)	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	109.2320	0.000	1	109.2320	0.000	1	109.2320	0.000	1	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,3x6]-4:C[5,6a]-3:C-3:	C[3x5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5,6,6]C[6a])(N[5]C[5,5,3x6]C)(C[6a]C[6a]H)	N[5](C[5,5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5,6,6]C[6a])(N[5]C[5,5,3x6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(COO){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|C<4>,4|H<1>}	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(CCO){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6,6]C[5,5,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,5,6,6]C[5,5,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(COO){2|C<3>,3|H<1>,5|C<4>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(COO){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	108.6130	0.000	1	108.6130	0.000	1	109.0816	0.117	5	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,5,6]C[5,5,6]C[3,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[3,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	109.1600	0.000	1	109.1600	0.000	1	109.0816	0.117	5	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	109.4840	0.000	1	109.4840	0.000	1	109.0816	0.117	5	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(COO){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	109.0755	0.285	2	109.0755	0.081	2	109.0816	0.117	5	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,5]C[5,5,6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){1|C<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	109.6640	0.000	1	109.6640	0.000	1	109.3160	0.242	2	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,5]C[5,5,6]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,5]C[5,5,6]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	108.9680	0.000	1	108.9680	0.000	1	109.3160	0.242	2	109.4421	0.475	28	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:S-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	N[5](C[3x5]C[5,5]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[3x5]C[5,5]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|O<2>,1|S<4>,6|C<3>}	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	111.9641	4.917	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	111.9641	4.917	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5,6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Si)	N[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|C<3>,1|C<4>,1|C<6>,3|H<1>}	N[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<4>,1|C<5>,1|H<1>,2|C<3>,4|B<6>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<3>,1|C<6>,3|H<1>}	112.0340	0.000	1	112.0340	0.000	1	112.0340	0.000	1	111.9641	4.917	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	Ge[5,5,6]-4:C[5,6a]-3:C-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]Ge[5,5,6]C)(C[6a]C[6a]H)	N[5](Ge[5,5,6]N[5,6]2N[5])(C[5,6a]C[5,6a]C[6a])(CCHH)	C[5,6a](N[5,6]Ge[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]Ge[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	N[5](Ge[5,5,6]N[5,6]2N[5])(C[5,6a]C[5,6a]C[6a])(CCHH){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](N[5,6]Ge[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	114.1145	0.657	2	114.1145	0.432	2	114.1145	0.432	2	111.9641	4.917	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	Si[3x5]-4:C[5,6a]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Si[3x5]C)(C[6a]C[6a]H)	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Si[3x5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Si[3x5]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	N[5](Si[3x5]C[5,5,6]P[5,5,6]N[5])(C[5,6a]C[5,6a]C[6a])(CCHH){1|H<1>,2|C<4>,2|P<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Si[3x5]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	112.3805	0.435	2	112.3805	0.189	2	112.3805	0.189	2	111.9641	4.917	7	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3,5]-4:C[5,6a]-3:S-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]S)	N[5](C[3,5]C[3,5]C[6a]N[3])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[3,5]C[3,5]C[6a]N[3])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	110.1190	0.000	1	110.1190	0.000	1	110.1190	0.000	1	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:S-4:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	109.1090	0.000	1	109.1090	0.000	1	109.3870	0.063	3	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:S-4:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	109.5990	0.000	1	109.5260	0.011	2	109.3870	0.063	3	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:S-4:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,5|H<1>}	109.4530	0.000	1	109.5260	0.011	2	109.3870	0.063	3	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	110.8460	0.000	1	110.8460	0.000	1	110.8460	0.000	1	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	111.2010	0.000	1	110.6333	0.526	3	110.5003	0.288	6	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	110.3495	0.754	2	110.6333	0.526	3	110.5003	0.288	6	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]N[5,5a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]N[5,5a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	110.3673	0.375	3	110.3673	0.141	3	110.5003	0.288	6	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	110.9680	0.000	1	110.9680	0.000	1	110.0550	1.019	4	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	108.9110	0.000	1	108.9110	0.000	1	110.0550	1.019	4	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,1|S<4>,2|C<3>,3|C<4>}	109.5040	0.000	1	109.5040	0.000	1	110.0550	1.019	4	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	110.8370	0.000	1	110.8370	0.000	1	110.0550	1.019	4	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	111.2470	0.000	1	111.2470	0.000	1	111.4972	1.090	6	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	111.3420	0.000	1	111.3420	0.000	1	111.4972	1.090	6	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	109.7400	0.000	1	109.7400	0.000	1	111.4972	1.090	6	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	112.5440	0.000	1	112.5440	0.000	1	111.4972	1.090	6	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	112.5820	0.000	1	112.0550	0.555	2	111.4972	1.090	6	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	111.5280	0.000	1	112.0550	0.555	2	111.4972	1.090	6	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	110.5370	0.000	1	110.5370	0.000	1	110.7805	0.119	2	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	111.0240	0.000	1	111.0240	0.000	1	110.7805	0.119	2	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){2|C<4>,3|C<3>,4|H<1>}	110.4200	0.000	1	110.4200	0.000	1	110.4200	0.000	1	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,5|H<1>}	107.5800	0.000	1	107.5800	0.000	1	107.5800	0.000	1	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,4|C<3>,4|H<1>}	109.0365	0.295	2	109.0365	0.087	2	109.0365	0.087	2	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[3,5,6]-4:C[5,6a]-3:S-4:	C[3,5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5,5,6]C[6a])(N[5]C[3,5,6]S)(C[6a]C[6a]H)	N[5](C[3,5,6]C[3,5,5,6]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[3,5,5,6]C[3,5,6]C[3,5]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5,5,6]C[6a])(N[5]C[3,5,6]S)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	N[5](C[3,5,6]C[3,5,5,6]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[3,5,5,6]C[3,5,6]C[3,5]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	110.2840	0.000	1	110.2840	0.000	1	110.2840	0.000	1	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:Si-4:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]C)	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]C){1|C<3>,2|C<6>,4|H<1>}	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<4>,1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	111.9830	0.000	1	111.9830	0.000	1	112.6265	0.204	4	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:Si-4:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){2|C<3>,2|C<6>,3|H<1>}	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<6>,2|H<1>,4|B<6>,4|C<3>}	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	112.6650	0.000	1	112.6650	0.000	1	112.6265	0.204	4	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:Si-4:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|C<6>,3|H<1>}	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<4>,1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<6>,3|H<1>,4|B<6>}	112.8500	0.000	1	112.8500	0.000	1	112.6265	0.204	4	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:Si-4:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){1|C<3>,2|C<6>,4|H<1>}	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<6>,2|C<3>,2|H<1>,4|B<6>}	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	113.0080	0.000	1	113.0080	0.000	1	112.6265	0.204	4	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]Br)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]Br){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Br<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	110.9030	0.000	1	110.9030	0.000	1	111.4907	0.277	6	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	111.4490	0.393	4	111.6082	0.243	5	111.4907	0.277	6	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	112.2450	0.000	1	111.6082	0.243	5	111.4907	0.277	6	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3){3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	110.1200	0.000	1	110.1200	0.000	1	110.1200	0.000	1	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:S-4:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	110.1170	0.000	1	110.1170	0.000	1	110.1170	0.000	1	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:S-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(CCHH)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(CCHH){3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,5|C<4>,5|H<1>}	110.1510	0.000	1	110.1510	0.000	1	110.1510	0.000	1	110.6994	1.434	42	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	5:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	P[5,5]-5:C[5,6a]-3:C-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](P[5,5]N[5,5]N[5]Cl2)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](P[5,5]N[5,5]N[5]Cl2)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	112.0795	0.217	2	112.0795	0.047	2	112.0795	0.047	2	112.0795	0.047	2	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	6:3:3:	3:2:3:	N[5]-3:C[5,6a]-3:C[6a]-3:	In[4,5,5]-6:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[5,6a](N[5]In[4,5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5](In[4,5,5]N[5]O[5]2S[4]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(O[5]In[4,5,5])(C[6a]C[6a]C)	C[5,6a](N[5]In[4,5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|S<2>,3|C<3>}	N[5](In[4,5,5]N[5]O[5]2S[4]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(O[5]In[4,5,5])(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|S<2>}	115.8890	0.126	2	115.8890	0.016	2	115.8890	0.016	2	115.8890	0.016	2	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	6:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	In[5,5]-6:C[5,6a]-3:C[6]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]In[5,5]C[6])(C[6a]C[6a]H)	N[5](In[5,5]N[5,5]N[5,6]Cl3)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])	C[5,6a](N[5,5]In[5,5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]In[5,5]C[6])(C[6a]C[6a]H){3|Cl<1>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[5](In[5,5]N[5,5]N[5,6]Cl3)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]){1|N<2>,3|H<1>,6|C<3>}	C[5,6a](N[5,5]In[5,5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	118.7980	0.000	1	118.7980	0.000	1	118.7980	0.000	1	118.7980	0.000	1	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP2	C[5,6a]	N[5]	C[5,6a]	3:3:3:	6:3:3:	6:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(N[5]C[5x3,6x5,20x6]C[6a])(C[6a]C[6a]H)	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(N[5]C[5x3,6x5,20x6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,6|B<6>}	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){4|C<3>,5|B<6>,7|H<1>}	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,5|B<6>,6|H<1>}	112.6570	0.000	1	112.6570	0.000	1	112.6570	0.000	1	112.6570	0.000	1	108.1748	5.038	6974	108.3943	6.437	7535
727	542	727	5:SP2_SP2_SP3	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[5,6,6a](N[5,6]C[6,6a]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(C[5]C[5]HH)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6,6a](N[5,6]C[6,6a]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,6|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	112.0880	0.000	1	112.0880	0.000	1	112.0880	0.000	1	112.0880	0.000	1	113.3660	3.267	2	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:C[5]-4:C[6]-4:	C[5,6,6a]-3:P[5]-4:C[6a]-3:	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]H)	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Rh<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	113.3660	3.267	2	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	N[5,5,6]-3:C[5,6a]-3:C[6a]-3:	C[3x5,6,6]-4:C[5,6a]-3:C[5,6]-3:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,5,6]C[3x5,6,6]C[5,6])(C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)	N[5,5,6](C[3x5,6,6]C[3,5,6]C[5,6,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]O)	C[5,6a](C[3,5,6]C[3x5,6,6]C[3,6]C[3])(C[5,6a]N[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,5,6]C[3x5,6,6]C[5,6])(C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[5,5,6](C[3x5,6,6]C[3,5,6]C[5,6,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]O){2|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[3,5,6]C[3x5,6,6]C[3,6]C[3])(C[5,6a]N[5,5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	109.6160	0.000	1	109.6160	0.000	1	109.6160	0.000	1	109.6160	0.000	1	109.6160	0.000	1	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,2|C<3>,2|H<1>}	112.1045	0.210	2	112.1045	0.044	2	112.1045	0.044	2	112.6578	0.426	4	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	113.2110	0.099	2	113.2110	0.010	2	113.2110	0.010	2	112.6578	0.426	4	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P[5,5]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2N)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])2(P[5,5]N[5]2N){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	111.0275	0.056	2	111.0275	0.003	2	111.0275	0.003	2	111.0275	0.003	2	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:P[5,5]-3:C[5]-4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]P[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5]P[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]P[5,5]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]P[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5]P[5])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]P[5,5]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	109.3960	0.075	2	109.3960	0.006	2	110.2167	0.917	4	110.1418	0.716	5	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]P)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,2|O<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]P)(C[5]C[5,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	110.8770	0.000	1	110.8770	0.000	1	110.2167	0.917	4	110.1418	0.716	5	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,2|O<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	111.1980	0.000	1	111.1980	0.000	1	110.2167	0.917	4	110.1418	0.716	5	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5]){1|O<2>,2|H<1>,2|O<1>,5|C<3>}	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O){1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	109.8420	0.000	1	109.8420	0.000	1	109.8420	0.000	1	110.1418	0.716	5	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	109.5210	0.000	1	109.5210	0.000	1	109.5210	0.000	1	109.4991	0.407	15	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	110.4400	0.642	2	110.1677	0.429	3	110.1677	0.429	3	109.4991	0.407	15	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	109.6230	0.000	1	110.1677	0.429	3	110.1677	0.429	3	109.4991	0.407	15	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	109.3410	0.000	1	109.3410	0.000	1	109.3147	0.313	11	109.4991	0.407	15	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	109.9010	0.808	2	109.6393	0.531	3	109.3147	0.313	11	109.4991	0.407	15	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	109.1160	0.000	1	109.6393	0.531	3	109.3147	0.313	11	109.4991	0.407	15	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	108.9680	0.536	2	108.9680	0.287	2	109.3147	0.313	11	109.4991	0.407	15	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	108.6970	0.126	2	108.6970	0.016	2	109.3147	0.313	11	109.4991	0.407	15	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	109.3060	0.000	1	109.6243	0.079	3	109.3147	0.313	11	109.4991	0.407	15	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	109.7835	0.077	2	109.6243	0.079	3	109.3147	0.313	11	109.4991	0.407	15	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O){1|H<1>,1|O<2>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,2|C<4>,3|H<1>}	113.3455	0.289	2	113.3117	0.045	3	113.8020	0.419	10	113.1461	2.767	12	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,2|C<4>,3|H<1>}	113.2440	0.000	1	113.3117	0.045	3	113.8020	0.419	10	113.1461	2.767	12	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,2|C<4>,3|H<1>}	114.0485	0.421	2	114.0485	0.177	2	113.8020	0.419	10	113.1461	2.767	12	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,2|C<4>,3|H<1>}	114.4740	0.296	3	114.4740	0.088	3	113.8020	0.419	10	113.1461	2.767	12	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]C[5]CH){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,2|C<4>,3|H<1>}	113.2830	0.768	2	113.2830	0.590	2	113.8020	0.419	10	113.1461	2.767	12	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5]-3:N[6a]-2:	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	109.8665	0.927	2	109.8665	0.859	2	109.8665	0.859	2	113.1461	2.767	12	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]B[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]B[5]C[5]C)(C[5]C[5]CC)	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]B[5]C[5]C)(C[5]C[5]CC){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	114.6230	0.000	1	114.6230	0.000	1	114.6230	0.000	1	113.0794	0.774	5	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.6407	0.204	3	112.6407	0.042	3	112.6407	0.042	3	113.0794	0.774	5	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5,5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5,5]C[5]2O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5,5]C[5]2O){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.8520	0.000	1	112.8520	0.000	1	112.8520	0.000	1	113.0794	0.774	5	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	112.0130	0.000	1	112.0130	0.000	1	111.7532	0.423	6	112.0100	4.623	11	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	112.3410	0.000	1	112.3410	0.000	1	111.7532	0.423	6	112.0100	4.623	11	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH){1|N<3>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	112.5170	0.000	1	112.5170	0.000	1	111.7532	0.423	6	112.0100	4.623	11	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	110.9240	0.000	1	111.2160	0.127	3	111.7532	0.423	6	112.0100	4.623	11	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	111.6130	0.000	1	111.2160	0.127	3	111.7532	0.423	6	112.0100	4.623	11	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.1110	0.000	1	111.2160	0.127	3	111.7532	0.423	6	112.0100	4.623	11	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]P[5]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]C[3x6]2C[5,5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]P[5]H)(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]C[3x6]2C[5,5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>,7|C<4>}	117.8450	0.000	1	117.8450	0.000	1	117.8450	0.000	1	112.0100	4.623	11	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:P[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(P[5]O[5]PdO)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(P[5]O[5]PdO){2|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	110.1080	0.402	2	110.1080	0.161	2	110.1080	0.161	2	112.0100	4.623	11	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:S[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]S[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|O<1>,4|C<3>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	110.7270	0.000	1	110.7270	0.000	1	110.7270	0.000	1	112.0100	4.623	11	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5]){1|N<2>,5|C<3>,6|H<1>}	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	112.8030	0.000	1	112.8030	0.000	1	112.8030	0.000	1	112.0100	4.623	11	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	110.2900	0.130	3	110.2900	0.017	3	110.2900	0.017	3	108.9126	3.570	5	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,6]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,3|C<3>}	106.9370	0.000	1	106.9370	0.000	1	106.8465	0.016	2	108.9126	3.570	5	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){4|C<3>,6|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,3|C<3>}	106.7560	0.000	1	106.7560	0.000	1	106.8465	0.016	2	108.9126	3.570	5	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	112.2450	0.088	2	112.2450	0.008	2	111.5923	1.282	3	110.5605	1.937	6	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	110.2870	0.000	1	110.2870	0.000	1	111.5923	1.282	3	110.5605	1.937	6	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|F<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<2>,2|F<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H){2|H<1>,4|C<3>}	109.8515	0.327	2	109.8515	0.107	2	109.5287	0.366	3	110.5605	1.937	6	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	108.8830	0.000	1	108.8830	0.000	1	109.5287	0.366	3	110.5605	1.937	6	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6]C[5,5,6]C[6]F)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|F<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6]F)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.9100	0.000	1	109.9100	0.000	1	110.1350	0.101	2	110.1350	0.101	2	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6]C[5,5,6]C[6]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	110.3600	0.000	1	110.3600	0.000	1	110.1350	0.101	2	110.1350	0.101	2	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:4:	3:3:2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){4|H<1>,7|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	114.3577	0.321	3	114.3577	0.103	3	114.3577	0.103	3	114.3577	0.103	3	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	112.8135	0.394	2	112.8135	0.155	2	112.8135	0.155	2	112.8135	0.155	2	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<3>,4|H<1>}	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]N[5]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	112.3000	0.000	1	112.3000	0.000	1	112.3000	0.000	1	112.2793	0.315	3	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H){1|C<4>,1|N<2>,2|F<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	112.8300	0.000	1	112.8300	0.000	1	112.8300	0.000	1	112.2793	0.315	3	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,5]	C[5,6a]	3:3:3:	4:3:4:	3:4:3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H){1|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	111.7080	0.000	1	111.7080	0.000	1	111.7080	0.000	1	112.2793	0.315	3	111.4657	4.814	77	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-3:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Pd)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Pd)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	108.0437	0.612	7	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[3x6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H){2|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,2|H<1>}	108.0233	0.855	6	108.0233	0.730	6	108.0233	0.730	6	108.0437	0.612	7	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H){1|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:2:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	111.4990	0.000	1	111.1970	0.182	2	111.1970	0.182	2	111.1970	0.182	2	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:2:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	110.8950	0.000	1	111.1970	0.182	2	111.1970	0.182	2	111.1970	0.182	2	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:2:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	110.4960	0.000	1	110.7155	0.096	2	110.7155	0.096	2	110.7155	0.096	2	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:2:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	110.9350	0.000	1	110.7155	0.096	2	110.7155	0.096	2	110.7155	0.096	2	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]C)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]C){1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){3|C<3>,3|H<1>}	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.8325	0.243	2	110.8325	0.059	2	110.8325	0.059	2	110.8325	0.059	2	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6a]C[6]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6a]C[6]H){2|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]2)(C[6a]C[6a]H){1|C<3>,4|C<4>,7|H<1>}	109.2810	0.000	1	109.2810	0.000	1	109.2810	0.000	1	109.6543	0.266	3	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.4390	0.000	1	109.4390	0.000	1	109.8410	0.323	2	109.6543	0.266	3	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.2430	0.000	1	110.2430	0.000	1	109.8410	0.323	2	109.6543	0.266	3	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	N[5,6](C[5,6]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){2|H<1>,2|N<3>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	109.4450	0.037	2	109.4450	0.001	2	109.4450	0.001	2	109.3143	0.029	4	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	109.1835	0.135	2	109.1835	0.018	2	109.1835	0.018	2	109.3143	0.029	4	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,5]C[4,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[4,5]C[4,5,6]N[4]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[4,5,6]C[4,5]C[4,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[4,5]C[4,5,6]N[4]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	109.9420	0.000	1	109.9420	0.000	1	109.8385	0.021	2	109.7814	0.277	41	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[4,5]C[4,5,6]C[4]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[4,5]C[4,5,6]C[4]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	109.7350	0.000	1	109.7350	0.000	1	109.8385	0.021	2	109.7814	0.277	41	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	109.9826	0.645	5	109.9973	0.240	27	109.9973	0.240	27	109.7814	0.277	41	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	110.1727	0.473	14	109.9973	0.240	27	109.9973	0.240	27	109.7814	0.277	41	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,2|C<3>,3|C<4>,6|H<1>}	109.6996	0.275	8	109.9973	0.240	27	109.9973	0.240	27	109.7814	0.277	41	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>,5|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	109.4324	0.256	5	109.3271	0.076	7	109.2861	0.055	12	109.7814	0.277	41	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>,5|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.0640	0.000	2	109.3271	0.076	7	109.2861	0.055	12	109.7814	0.277	41	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.2286	0.177	5	109.2286	0.031	5	109.2861	0.055	12	109.7814	0.277	41	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO){3|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.2050	0.000	1	111.2050	0.000	1	111.2050	0.000	1	112.4715	2.271	4	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	113.7715	0.227	2	113.7715	0.052	2	113.7715	0.052	2	112.4715	2.271	4	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	111.1380	0.000	1	111.1380	0.000	1	111.1380	0.000	1	112.4715	2.271	4	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	110.4570	0.000	1	110.4570	0.000	1	109.9835	0.448	2	110.5113	0.528	4	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){2|N<3>,4|C<3>,6|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	109.5100	0.000	1	109.5100	0.000	1	109.9835	0.448	2	110.5113	0.528	4	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	3:4:3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[4,5,6]CC)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[4,5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	111.0390	0.151	2	111.0390	0.023	2	111.0390	0.023	2	110.5113	0.528	4	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,3x6]-4:C[5,6a]-3:C[6]-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,6]C[5,3x6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,3x6]C[5,6,6]C[3x6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)	C[5,6a](C[5,6,6]C[5,3x6]C[6,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,6]C[5,3x6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,3x6]C[5,6,6]C[3x6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6,6]C[5,3x6]C[6,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	109.3780	0.000	1	109.3780	0.000	1	109.3780	0.000	1	110.6115	1.181	4	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|H<1>,6|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	110.1730	0.000	1	110.1730	0.000	1	110.5780	0.328	2	110.6115	1.181	4	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,4|H<1>}	110.9830	0.000	1	110.9830	0.000	1	110.5780	0.328	2	110.6115	1.181	4	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	110.6115	1.181	4	109.8991	1.210	76	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:2:3:	3:4:3:	3:3:4:	C[5,6a]-3:N[6a]-2:N[5]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	110.8880	0.000	1	110.8880	0.000	1	110.8880	0.000	1	108.3360	6.890	3	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	105.6440	0.000	1	105.6440	0.000	1	107.0600	4.010	2	108.3360	6.890	3	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	108.4760	0.000	1	108.4760	0.000	1	107.0600	4.010	2	108.3360	6.890	3	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	110.2450	0.000	1	110.2450	0.000	1	109.8332	0.395	4	110.8599	8.242	7	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	109.6090	0.000	1	109.3300	0.156	2	109.8332	0.395	4	110.8599	8.242	7	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	109.0510	0.000	1	109.3300	0.156	2	109.8332	0.395	4	110.8599	8.242	7	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	110.4280	0.000	1	110.4280	0.000	1	109.8332	0.395	4	110.8599	8.242	7	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	109.6560	0.000	1	109.6560	0.000	1	109.6560	0.000	1	110.8599	8.242	7	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H)	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,3|H<1>}	109.7400	0.000	1	109.7400	0.000	1	109.7400	0.000	1	110.8599	8.242	7	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:H-1:	Si[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]Si[5,6]C[6a])(H)	C[5,6a](Si[5,6]N[5]N[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5]H){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]Si[5,6]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	C[5,6a](Si[5,6]N[5]N[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	117.2900	0.000	1	117.2900	0.000	1	117.2900	0.000	1	110.8599	8.242	7	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	107.6740	0.000	1	107.6740	0.000	1	107.6740	0.000	1	107.6740	0.000	1	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,3|C<3>}	109.9250	0.993	2	109.9250	0.986	2	109.9250	0.986	2	109.3009	3.638	7	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|H<1>,3|C<3>}	106.5540	0.000	1	106.5540	0.000	1	106.5540	0.000	1	109.3009	3.638	7	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	110.3580	0.064	2	110.3580	0.004	2	110.3580	0.004	2	109.3009	3.638	7	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	106.7470	0.000	1	106.7470	0.000	1	106.7470	0.000	1	109.3009	3.638	7	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a])	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	111.2390	0.000	1	111.2390	0.000	1	111.2390	0.000	1	109.3009	3.638	7	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(CCHH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	115.3390	0.000	1	115.3390	0.000	1	115.3390	0.000	1	115.3390	0.000	1	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3)	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	109.8390	0.652	6	109.8390	0.425	6	109.8390	0.425	6	109.8614	1.204	16	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[5]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	111.1617	0.416	3	111.1617	0.173	3	111.1617	0.173	3	109.8614	1.204	16	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6,6]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	109.4490	0.098	2	109.4490	0.010	2	109.2800	0.098	4	109.8614	1.204	16	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	109.1110	0.412	2	109.1110	0.169	2	109.2800	0.098	4	109.8614	1.204	16	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Os)(CCHH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<6>,1|C<4>,2|H<1>,3|C<3>}	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1	109.8614	1.204	16	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<4>,2|C<3>,2|H<1>}	111.3500	0.000	1	111.3500	0.000	1	111.3500	0.000	1	109.8614	1.204	16	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CH3){1|Rh<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<4>,2|C<3>,2|H<1>}	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.8614	1.204	16	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,1|N<3>,2|C<3>,2|N<2>,6|H<1>}	N[5](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.4200	0.000	1	110.4200	0.000	1	110.4200	0.000	1	109.8675	0.217	15	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|S<4>,2|C<3>,2|H<1>}	109.7940	0.000	1	109.7940	0.000	1	109.7940	0.000	1	109.8675	0.217	15	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Rh)(N[5]C[5]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Rh)(N[5]C[5]C[6]){1|N<3>,2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]HH){1|Rh<8>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Rh<8>,2|C<3>,3|H<1>}	109.4975	1.234	2	109.4975	1.523	2	109.4975	1.523	2	109.8675	0.217	15	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]HH){1|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	109.8675	0.217	15	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.6970	0.000	1	109.6970	0.000	1	109.8822	0.102	10	109.8675	0.217	15	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	110.5190	0.000	1	110.5190	0.000	1	109.8822	0.102	10	109.8675	0.217	15	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,2|N<2>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.2450	0.000	1	109.2450	0.000	1	109.8822	0.102	10	109.8675	0.217	15	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.7380	0.000	1	109.7380	0.000	1	109.8822	0.102	10	109.8675	0.217	15	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.9230	0.000	1	109.9123	0.008	3	109.8822	0.102	10	109.8675	0.217	15	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.9070	0.127	2	109.9123	0.008	3	109.8822	0.102	10	109.8675	0.217	15	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S){1|C<3>,2|N<2>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|S<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<2>,2|C<3>,3|H<1>}	109.9260	0.000	1	109.9620	0.005	3	109.8822	0.102	10	109.8675	0.217	15	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S){1|C<3>,2|N<2>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	109.9800	0.092	2	109.9620	0.005	3	109.8822	0.102	10	109.8675	0.217	15	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CC[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CC[5]HH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	110.4670	0.000	1	110.4670	0.000	1	110.4670	0.000	1	110.1833	0.140	4	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SCOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SCOO){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	110.1720	0.000	1	110.1720	0.000	1	110.0887	0.157	3	110.1833	0.140	4	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	110.0470	0.550	2	110.0470	0.303	2	110.0887	0.157	3	110.1833	0.140	4	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(CH3)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]C){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	108.5020	0.000	1	108.5020	0.000	1	108.5020	0.000	1	112.2385	27.923	2	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2S[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2S[5])(H){1|H<1>,2|C<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){3|C<3>,3|H<1>}	115.9750	0.000	1	115.9750	0.000	1	115.9750	0.000	1	112.2385	27.923	2	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	112.1220	0.000	1	112.1220	0.000	1	112.0247	0.139	4	111.4469	0.718	10	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	112.0880	0.000	1	111.7950	0.172	2	112.0247	0.139	4	111.4469	0.718	10	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	111.5020	0.000	1	111.7950	0.172	2	112.0247	0.139	4	111.4469	0.718	10	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	112.3870	0.000	1	112.3870	0.000	1	112.0247	0.139	4	111.4469	0.718	10	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	110.1200	0.000	1	110.1200	0.000	1	110.1200	0.000	1	111.4469	0.718	10	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	111.5680	0.000	1	111.5680	0.000	1	111.8427	0.057	3	111.4469	0.718	10	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	111.9630	0.000	1	111.9630	0.000	1	111.8427	0.057	3	111.4469	0.718	10	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	111.9970	0.000	1	111.9970	0.000	1	111.8427	0.057	3	111.4469	0.718	10	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]SS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H){2|C<3>,2|H<1>,2|S<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]SS)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H){2|C<3>,2|H<1>,2|S<1>}	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	111.4469	0.718	10	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5]-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|Se<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H){1|Se<1>,3|H<1>,4|C<3>}	110.4310	0.000	1	110.4310	0.000	1	110.4310	0.000	1	111.4469	0.718	10	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	110.4802	0.460	4	110.4802	0.211	4	110.4838	0.159	5	110.4838	0.159	5	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	110.4980	0.000	1	110.4980	0.000	1	110.4838	0.159	5	110.4838	0.159	5	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:4:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(N[6a]C[6a])	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(N[6a]C[6a]){4|C<3>,4|H<1>}	110.2730	0.048	2	110.2730	0.002	2	110.2730	0.002	2	110.2730	0.002	2	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	110.6040	0.000	1	110.6040	0.000	1	110.6560	0.005	2	110.5842	0.094	8	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){4|C<3>,7|H<1>}	110.7080	0.000	1	110.7080	0.000	1	110.6560	0.005	2	110.5842	0.094	8	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<3>,2|C<4>,7|H<1>}	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	110.5842	0.094	8	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	110.9020	0.000	1	110.9020	0.000	1	110.6826	0.048	5	110.5842	0.094	8	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(H){1|C<2>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	110.6540	0.000	1	110.6540	0.000	1	110.6826	0.048	5	110.5842	0.094	8	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	110.6910	0.000	1	110.6190	0.065	3	110.6826	0.048	5	110.5842	0.094	8	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	110.5830	0.351	2	110.6190	0.065	3	110.6826	0.048	5	110.5842	0.094	8	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[4,5]-4:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H)	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	111.6300	0.689	2	111.4583	0.326	3	111.4583	0.326	3	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[4,5]-4:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H)	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	111.1150	0.000	1	111.4583	0.326	3	111.4583	0.326	3	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	110.8000	0.000	1	110.8000	0.000	1	110.8000	0.000	1	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|Br<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	112.7950	0.000	1	112.7950	0.000	1	111.0676	0.580	16	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.0250	0.000	1	111.0250	0.000	1	111.0676	0.580	16	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	111.0765	0.233	2	111.0765	0.054	2	111.0676	0.580	16	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	111.3080	0.000	1	111.3080	0.000	1	111.0676	0.580	16	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<2>,2|C<4>,4|H<1>}	111.7820	0.000	1	111.9115	0.034	2	111.0676	0.580	16	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	112.0410	0.000	1	111.9115	0.034	2	111.0676	0.580	16	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	110.9080	0.000	1	110.9080	0.000	1	111.0676	0.580	16	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.2113	0.394	3	111.2113	0.155	3	111.0676	0.580	16	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	110.5060	0.000	1	110.5060	0.000	1	111.0676	0.580	16	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	110.8830	0.000	1	110.3777	0.194	3	111.0676	0.580	16	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	110.1720	0.000	1	110.3777	0.194	3	111.0676	0.580	16	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	110.0780	0.000	1	110.3777	0.194	3	111.0676	0.580	16	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	109.7970	0.000	1	109.7970	0.000	1	111.0676	0.580	16	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,5|H<1>}	110.3140	0.000	1	110.3140	0.000	1	110.8395	0.552	2	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	111.3650	0.000	1	111.3650	0.000	1	110.8395	0.552	2	111.0880	0.501	22	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:2:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(OH){1|H<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,3|H<1>}	111.3790	0.000	1	111.3790	0.000	1	110.9597	0.794	3	110.9597	0.794	3	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:2:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(OH){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,3|H<1>}	110.7500	1.151	2	110.7500	1.325	2	110.9597	0.794	3	110.9597	0.794	3	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:2:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	108.4570	0.000	1	108.4570	0.000	1	108.4570	0.000	1	108.4570	0.000	1	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.7520	0.000	1	111.7520	0.000	1	111.7520	0.000	1	111.7520	0.000	1	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(COO)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(N[5]C[5]C){1|C<3>,3|C<4>,6|H<1>}	N[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	109.0760	0.000	1	109.0760	0.000	1	109.0760	0.000	1	109.8634	0.583	14	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){3|C<3>,3|H<1>}	109.6540	0.000	1	109.6540	0.000	1	109.5490	0.126	6	109.8634	0.583	14	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	109.3407	0.139	3	109.3407	0.019	3	109.5490	0.126	6	109.8634	0.583	14	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	110.2070	0.000	1	110.2070	0.000	1	109.5490	0.126	6	109.8634	0.583	14	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<4>,2|C<3>,3|H<1>}	109.4110	0.000	1	109.4110	0.000	1	109.5490	0.126	6	109.8634	0.583	14	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	109.3970	0.155	3	109.3970	0.024	3	109.3970	0.024	3	109.8634	0.583	14	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:N-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH){2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	111.3440	0.020	2	111.3440	0.000	2	111.3440	0.000	2	109.8634	0.583	14	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]C)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(CC[6a]O)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]C){4|C<3>,5|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(CC[6a]O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	110.4195	0.166	2	110.4195	0.028	2	110.4195	0.028	2	109.8634	0.583	14	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO){3|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	109.8090	0.293	2	109.8090	0.086	2	109.8090	0.086	2	109.8925	0.038	4	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|C<4>,5|H<1>}	110.0050	0.000	1	110.0050	0.000	1	109.9760	0.002	2	109.8925	0.038	4	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	109.9470	0.000	1	109.9470	0.000	1	109.9760	0.002	2	109.8925	0.038	4	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO){1|Br<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|H<1>,4|C<3>}	110.9800	0.000	1	110.9800	0.000	1	110.9800	0.000	1	110.4615	0.538	2	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]NN)(COO)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]NN)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	110.4615	0.538	2	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.0840	0.000	1	113.0840	0.000	1	113.0840	0.000	1	110.4428	6.767	5	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(CH3){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	109.2160	0.000	1	109.2160	0.000	1	109.2160	0.000	1	110.4428	6.767	5	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	107.9050	0.000	1	107.9050	0.000	1	108.2550	0.245	2	110.4428	6.767	5	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]HH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	108.6050	0.000	1	108.6050	0.000	1	108.2550	0.245	2	110.4428	6.767	5	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(SC[6a]OO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|S<4>,2|C<3>,3|H<1>}	113.4040	0.000	1	113.4040	0.000	1	113.4040	0.000	1	110.4428	6.767	5	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CCCH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	107.6460	0.000	1	107.6460	0.000	1	108.4066	0.127	9	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	108.5410	0.000	1	108.5902	0.057	5	108.4066	0.127	9	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|H<1>,1|N<3>,1|S<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	108.7900	0.228	2	108.5902	0.057	5	108.4066	0.127	9	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	108.4150	0.175	2	108.5902	0.057	5	108.4066	0.127	9	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	108.3645	0.187	2	108.3540	0.018	3	108.4066	0.127	9	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	108.3330	0.000	1	108.3540	0.018	3	108.4066	0.127	9	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	110.0650	0.000	1	110.0650	0.000	1	110.0650	0.000	1	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	110.5290	0.000	1	110.5290	0.000	1	110.5290	0.000	1	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	109.2860	0.000	1	109.2860	0.000	1	109.0298	0.280	5	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	108.8880	0.000	1	108.8880	0.000	1	109.0298	0.280	5	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	108.3270	0.000	1	108.3270	0.000	1	109.0298	0.280	5	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	109.3240	0.607	2	109.3240	0.368	2	109.0298	0.280	5	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<2>,1|S<4>,2|H<1>}	110.7990	0.000	1	110.7990	0.000	1	110.7990	0.000	1	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Ge[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|Cl<1>,1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5]ClRh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|Cl<1>,1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	116.0190	0.197	2	116.0190	0.039	2	116.0190	0.039	2	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:P[5,5]-4:C-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5]Se)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	113.0630	0.000	1	113.0630	0.000	1	113.0630	0.000	1	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Rh)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Rh<6>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]N[5]Rh)(CHHP){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Rh<6>,1|C<4>,2|C<3>,2|H<1>}	113.5963	0.478	3	113.5963	0.228	3	113.8342	0.654	14	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]ClRh)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]ClRh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	113.2650	0.069	2	113.2650	0.005	2	113.8342	0.654	14	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<5>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<5>,1|C<3>,2|C<4>,2|H<1>}	114.1411	0.990	7	114.1555	0.841	8	113.8342	0.654	14	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<6>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CoC)(CHHP){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<6>,1|C<3>,2|C<4>,2|H<1>}	114.2560	0.000	1	114.1555	0.841	8	113.8342	0.654	14	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:Si[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]Si[5]N[5]C)(CCHH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	113.1160	0.000	1	113.1160	0.000	1	113.8342	0.654	14	111.4994	7.587	34	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	111.7370	0.000	1	111.7370	0.000	1	110.6803	0.899	15	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	110.1970	0.000	1	110.1970	0.000	1	110.6803	0.899	15	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	112.0345	1.306	2	112.0345	1.706	2	110.6803	0.899	15	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	110.0740	0.000	1	110.0740	0.000	1	110.6803	0.899	15	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	109.0090	0.000	1	109.0090	0.000	1	110.6803	0.899	15	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	109.9495	0.176	2	109.9495	0.031	2	110.6803	0.899	15	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,4|H<1>}	110.3300	0.000	1	110.3300	0.000	1	110.6803	0.899	15	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.0250	0.000	1	110.0250	0.000	1	110.6803	0.899	15	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	110.3490	0.000	1	110.3490	0.000	1	110.6803	0.899	15	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,2|H<1>,3|C<3>}	110.9860	0.000	1	110.9860	0.000	1	110.6803	0.899	15	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	110.9670	0.000	1	110.9670	0.000	1	110.6803	0.899	15	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	111.1420	0.000	1	111.1420	0.000	1	110.6803	0.899	15	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.4210	0.000	1	111.4210	0.000	1	110.6803	0.899	15	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	108.9300	0.000	1	108.9300	0.000	1	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S){4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,3|H<1>,4|C<3>}	109.8800	0.000	1	109.8800	0.000	1	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	110.0990	0.000	1	110.5815	0.466	2	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S){1|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	111.0640	0.000	1	110.5815	0.466	2	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	110.2240	0.000	1	110.2240	0.000	1	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(SCOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(SCOO){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	110.2440	0.000	1	110.2440	0.000	1	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<2>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	110.7990	0.000	1	110.4748	0.297	4	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	110.3667	0.613	3	110.4748	0.297	4	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	110.4230	0.000	1	110.4027	0.107	3	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	110.7190	0.000	1	110.4027	0.107	3	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	110.0660	0.000	1	110.4027	0.107	3	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	109.8965	0.286	2	109.8965	0.082	2	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	110.6850	0.000	1	110.6850	0.000	1	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,4|H<1>}	109.4630	0.000	1	109.4630	0.000	1	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|S<4>,4|H<1>}	110.5190	0.000	1	110.5190	0.000	1	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<2>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|S<4>,4|H<1>}	108.9735	0.514	2	108.9735	0.264	2	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	110.2373	0.109	3	110.2373	0.012	3	110.1160	0.377	23	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H){1|S<4>,4|H<1>,5|C<3>}	110.5440	0.000	1	110.5440	0.000	1	110.5440	0.000	1	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	110.1070	0.000	1	110.1070	0.000	1	110.3670	0.493	3	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	111.1620	0.000	1	111.1620	0.000	1	110.3670	0.493	3	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(SC[6a]OO){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	109.8320	0.000	1	109.8320	0.000	1	110.3670	0.493	3	110.3456	0.605	42	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	110.8610	0.000	1	110.8610	0.000	1	110.8610	0.000	1	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	110.6160	0.000	1	110.6160	0.000	1	110.0586	0.529	27	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]Br){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	108.9515	0.255	2	108.9515	0.065	2	110.0586	0.529	27	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CC[6a]HH){1|C<4>,3|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	110.6570	0.199	2	110.6570	0.040	2	110.0586	0.529	27	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.3060	0.000	1	110.0234	0.073	5	110.0586	0.529	27	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.9527	0.253	4	110.0234	0.073	5	110.0586	0.529	27	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.0355	0.144	2	110.0960	0.616	17	110.0586	0.529	27	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.9680	0.000	1	110.0960	0.616	17	110.0586	0.529	27	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	110.2760	0.000	1	110.0960	0.616	17	110.0586	0.529	27	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.8217	0.886	3	110.0960	0.616	17	110.0586	0.529	27	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	110.0710	0.259	2	110.0960	0.616	17	110.0586	0.529	27	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.8388	0.928	8	110.0960	0.616	17	110.0586	0.529	27	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a,6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	109.9220	0.000	1	109.9220	0.000	1	110.2550	0.222	2	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	110.5880	0.000	1	110.5880	0.000	1	110.2550	0.222	2	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,6|H<1>}	109.7580	0.000	1	109.7580	0.000	1	109.7580	0.000	1	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	110.1420	0.000	1	110.1420	0.000	1	110.1210	0.001	2	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<2>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	110.1000	0.000	1	110.1000	0.000	1	110.1210	0.001	2	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:S[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]S[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,5]OO)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]S[5]C){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5,5]OO)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2S[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	114.5580	0.000	1	114.5580	0.000	1	114.5580	0.000	1	110.2275	1.006	35	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|Br<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	112.8650	0.000	1	112.8650	0.000	1	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>,3|C<4>}	111.4260	0.000	1	111.4260	0.000	1	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.6910	0.000	1	111.0405	0.846	2	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	110.3900	0.000	1	111.0405	0.846	2	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	112.2490	0.000	1	111.8967	0.251	4	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	111.4670	0.031	2	111.8967	0.251	4	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	112.4040	0.000	1	111.8967	0.251	4	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	110.8405	0.333	4	110.8405	0.111	4	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.6660	0.000	1	110.6660	0.000	1	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	111.0620	0.000	1	111.0620	0.000	1	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	110.3655	1.095	2	111.0578	0.768	5	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	111.5193	0.370	3	111.0578	0.768	5	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|S<2>,6|H<1>}	110.7510	0.000	1	110.7510	0.000	1	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.9845	0.356	4	110.8950	0.097	6	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	110.6500	0.000	1	110.8950	0.097	6	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	110.7820	0.000	1	110.8950	0.097	6	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[5]HH)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	114.1970	0.000	1	114.1970	0.000	1	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	110.5730	0.000	1	110.5730	0.000	1	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	110.1350	0.000	1	110.1350	0.000	1	111.2194	0.803	29	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SCOO)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SCOO){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	109.6530	0.000	1	109.6530	0.000	1	110.2677	0.761	10	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|H<1>,1|N<3>,1|N<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<4>,1|S<4>,2|C<3>,4|H<1>}	110.8480	0.000	1	110.8480	0.000	1	110.2677	0.761	10	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	111.2945	0.323	2	111.2945	0.104	2	110.2677	0.761	10	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO){1|Br<1>,1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,5|H<1>}	110.2200	0.000	1	110.2200	0.000	1	110.2677	0.761	10	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	111.3830	0.000	1	111.3830	0.000	1	110.2677	0.761	10	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	109.5640	0.105	2	109.5640	0.011	2	110.2677	0.761	10	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	109.4280	0.518	2	109.4280	0.268	2	110.2677	0.761	10	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	110.9110	0.000	2	110.9110	0.000	2	110.9223	0.070	8	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	110.9340	0.000	1	110.9340	0.000	1	110.9223	0.070	8	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	111.0483	0.303	3	111.0483	0.092	3	110.9223	0.070	8	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	110.4310	0.000	1	110.7385	0.189	2	110.9223	0.070	8	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	111.0460	0.000	1	110.7385	0.189	2	110.9223	0.070	8	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|S<4>,2|C<4>,4|H<1>}	110.5520	0.000	1	110.5520	0.000	1	110.1519	0.392	9	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,4|H<1>}	110.3790	0.000	1	110.3790	0.000	1	110.1519	0.392	9	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	109.7048	0.548	4	109.7048	0.300	4	110.1519	0.392	9	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	110.5610	0.000	1	110.8555	0.173	2	110.1519	0.392	9	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	111.1500	0.000	1	110.8555	0.173	2	110.1519	0.392	9	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO)	C[5,6a](C[5,6]C[5,6]C[6]Cl)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]Cl)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,1|S<4>,5|H<1>}	109.9060	0.000	1	109.9060	0.000	1	110.1519	0.392	9	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(CH3)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(CH3){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	111.3740	0.000	1	111.3740	0.000	1	111.3740	0.000	1	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,7|H<1>}	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	110.8775	0.292	2	110.8775	0.085	2	110.8775	0.085	2	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5,6]-4:S-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(SC[6a]OO)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(SC[6a]OO){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	110.8167	0.777	61	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|Cl<1>,1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,5]){3|C<3>,3|H<1>}	114.3115	0.026	2	114.3115	0.001	2	114.3115	0.001	2	114.3115	0.001	2	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.7370	0.000	1	109.7370	0.000	1	110.0920	0.252	2	111.0482	1.334	4	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	110.4470	0.000	1	110.4470	0.000	1	110.0920	0.252	2	111.0482	1.334	4	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	112.0045	0.303	2	112.0045	0.092	2	112.0045	0.092	2	111.0482	1.334	4	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	N[5](C[3x5]C[3x5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[3x5]C[3x5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|S<4>,3|C<4>,4|C<3>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	111.6880	0.000	1	111.6880	0.000	1	111.6880	0.000	1	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[3x5]N[3,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[3x5]N[3,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<3>,4|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,7|H<1>}	110.8490	0.000	1	110.8490	0.000	1	110.6605	0.071	2	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	110.4720	0.000	1	110.4720	0.000	1	110.6605	0.071	2	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	110.2430	0.000	1	110.2430	0.000	1	110.1080	0.036	2	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	109.9730	0.000	1	109.9730	0.000	1	110.1080	0.036	2	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	111.1230	0.000	1	111.1230	0.000	1	111.1056	0.288	8	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	111.5680	0.000	1	111.5680	0.000	1	111.1056	0.288	8	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	110.6733	0.183	3	110.6733	0.034	3	111.1056	0.288	8	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|O<2>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){4|H<1>,6|C<3>}	111.0705	0.620	2	111.0705	0.385	2	111.1056	0.288	8	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	111.9930	0.000	1	111.9930	0.000	1	111.1056	0.288	8	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](P[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|P<4>,5|C<3>}	C[5,6a](P[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	114.1710	0.000	1	114.1710	0.000	1	114.1710	0.000	1	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6,6]C[6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,5,6,6]C[6]C)(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<4>,3|C<3>,3|C<4>,5|H<1>}	109.9800	0.000	1	109.9800	0.000	1	109.9800	0.000	1	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	110.8610	0.000	1	110.8610	0.000	1	110.9222	0.039	5	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	110.8985	0.028	2	110.8343	0.013	3	110.9222	0.039	5	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	110.7060	0.000	1	110.8343	0.013	3	110.9222	0.039	5	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	111.2470	0.000	1	111.2470	0.000	1	110.9222	0.039	5	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	110.8720	0.000	1	110.8720	0.000	1	111.0585	0.093	4	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	111.4970	0.000	1	111.4970	0.000	1	111.0585	0.093	4	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|H<1>,5|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	110.8330	0.000	1	110.8330	0.000	1	111.0585	0.093	4	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	111.0320	0.000	1	111.0320	0.000	1	111.0585	0.093	4	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	110.9980	0.000	1	110.9980	0.000	1	110.9980	0.000	1	111.0261	0.649	26	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:2:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]O)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(OC)	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(OC){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]Se[5]Se[6]C[6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5,6])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Se<2>,2|C<3>,2|H<1>}	N[5](C[5,6]Se[5]Se[6]C[6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5,6]){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	115.3890	0.000	1	115.3890	0.000	1	115.3890	0.000	1	115.3890	0.000	1	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){3|C<3>,3|H<1>}	N[5](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	108.6750	0.000	1	108.6750	0.000	1	108.6750	0.000	1	108.6750	0.000	1	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	110.7150	0.000	1	110.7150	0.000	1	110.7150	0.000	1	110.3500	0.266	2	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5,6]S){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5]){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	110.3500	0.266	2	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:C-4:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]C)	N[5](C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	110.3050	0.000	1	110.3050	0.000	1	110.3050	0.000	1	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[3x5]-4:C[5,6a]-3:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	N[5](C[3x5]C[5,5]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[3x5]C[5,5]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|O<2>,1|S<4>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|H<1>,2|N<3>,3|C<3>}	110.5330	0.000	1	110.5330	0.000	1	110.5330	0.000	1	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,3|C<4>,3|H<1>,4|C<3>}	113.4280	0.000	1	113.4280	0.000	1	111.9417	1.821	3	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,3|C<4>,4|C<3>,4|H<1>}	110.7930	0.000	1	111.1985	0.329	2	111.9417	1.821	3	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	111.6040	0.000	1	111.1985	0.329	2	111.9417	1.821	3	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	110.9470	0.000	1	110.9470	0.000	1	110.9470	0.000	1	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:S-4:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,4|C<3>,6|H<1>}	110.7770	0.000	1	110.7770	0.000	1	110.7770	0.000	1	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	110.9970	0.000	1	110.9970	0.000	1	110.7227	0.063	3	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|S<4>,3|C<3>,3|H<1>}	110.5855	0.115	2	110.5855	0.013	2	110.7227	0.063	3	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	111.7225	0.050	2	111.7225	0.003	2	111.5754	0.547	10	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	109.8960	0.000	1	109.8960	0.000	1	111.5754	0.547	10	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	111.6690	0.000	1	111.7733	0.297	7	111.5754	0.547	10	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	111.7700	0.000	1	111.7733	0.297	7	111.5754	0.547	10	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	111.7948	0.665	5	111.7733	0.297	7	111.5754	0.547	10	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	110.9370	0.000	1	110.9370	0.000	1	110.5674	0.119	5	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	110.5460	0.000	1	110.5460	0.000	1	110.5674	0.119	5	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	110.8390	0.000	1	110.8390	0.000	1	110.5674	0.119	5	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,6]C[5a,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	110.0670	0.000	1	110.0670	0.000	1	110.5674	0.119	5	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	110.4480	0.000	1	110.4480	0.000	1	110.5674	0.119	5	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(SCOO)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(SCOO){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,2|C<4>,6|H<1>}	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[3,5,5]-4:C[5,6a]-3:S-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H)	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SCOO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SCOO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	109.7550	0.000	1	109.7550	0.000	1	110.1270	0.104	3	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[3,5,5]-4:C[5,6a]-3:S-4:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H)	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,3|C<3>,5|H<1>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	110.3130	0.000	2	110.3130	0.000	2	110.1270	0.104	3	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	111.5695	0.461	4	111.6768	0.260	6	111.6768	0.260	6	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	112.4020	0.000	1	111.6768	0.260	6	111.6768	0.260	6	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	111.3810	0.000	1	111.6768	0.260	6	111.6768	0.260	6	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	110.0810	0.000	1	110.0810	0.000	1	110.0810	0.000	1	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	111.6810	0.000	1	111.6810	0.000	1	111.3330	0.242	2	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,5|C<4>,5|H<1>}	110.9850	0.000	1	110.9850	0.000	1	111.3330	0.242	2	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:S-4:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]S)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	109.9050	0.000	1	109.9050	0.000	1	109.9050	0.000	1	111.0642	0.762	39	110.6891	2.267	387	110.6965	2.665	543
727	542	727	5:SP2_SP2_SP3	C[5,6a]	N[5]	C[5,6a]	3:3:3:	5:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[6a]-3:	In[3x5]-5:C[5,6a]-3:C-4:	N[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[3x5]C[6a])(N[5]In[3x5]C)(C[6a]C[6a]H)	N[5](In[3x5]N[3x5]N[5]2Ni)(C[5,6a]C[5,6a]C[6a])(CHHP)	C[5,6a](N[3x5]C[5,6a]2In[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[3x5]C[6a])(N[5]In[3x5]C)(C[6a]C[6a]H){1|Ni<4>,2|H<1>,2|N<3>,3|C<3>}	N[5](In[3x5]N[3x5]N[5]2Ni)(C[5,6a]C[5,6a]C[6a])(CHHP){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](N[3x5]C[5,6a]2In[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Ni<4>,1|C<4>,2|H<1>,2|N<3>,5|C<3>}	118.3000	0.000	1	118.3000	0.000	1	118.3000	0.000	1	118.3000	0.000	1	110.6891	2.267	387	110.6965	2.665	543
727	542	727	6:SP2_SP2_SP2	C[5,6,6a]	N[5,6]	C[5,6a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6,6a]-3:Ge[5]-2:C[6]-3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ge[5]C[6])	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ge[5]N[5,6a])(C[6]C[6]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ge[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ge[5]C[6]){3|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ge[5]N[5,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ge[5])(C[6a,6a]C[6a]2){3|H<1>,4|C<3>}	116.6590	0.000	1	116.6590	0.000	1	116.6590	0.000	1	116.6590	0.000	1	116.6590	0.000	1	116.6590	0.000	1