643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:O-1:	C[6a](N[6a]C[6a])2(SO3)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(O)3	C[6a](N[6a]C[6a])2(SO3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	S(C[6a]N[6a]2)(O)3	113.5220	0.000	1	113.5220	0.000	1	115.8155	4.964	4	115.8155	4.964	4	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:O-1:	C[6a](N[6a]C[6a])2(SO3)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(O)3	C[6a](N[6a]C[6a])2(SO3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S){1|H<1>,3|C<3>}	S(C[6a]N[6a]2)(O)3	114.3230	0.000	1	114.3230	0.000	1	115.8155	4.964	4	115.8155	4.964	4	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	2:2:4:	3:3:	3:1:1:1:	N[6a]-2:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:O-1:	C[6a](N[6a]C[6a])2(SO3)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(O)3	C[6a](N[6a]C[6a])2(SO3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(O)3	117.7085	0.486	2	117.7085	0.236	2	115.8155	4.964	4	115.8155	4.964	4	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:S-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:O-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SCOO)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)(O)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SCOO){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	S(C[6a]N[6a]2)(CH3)(O)2	116.8740	0.907	2	116.7577	0.451	3	116.7577	0.451	3	114.7705	3.259	14	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:S-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:O-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SCOO)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)(O)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SCOO){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	S(C[6a]N[6a]2)(CH3)(O)2	116.5250	0.000	1	116.7577	0.451	3	116.7577	0.451	3	114.7705	3.259	14	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:O-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SCOO)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)(O)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SCOO){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]S){2|C<3>}	S(C[6a]N[6a]2)(CH3)(O)2	113.5360	0.000	1	113.5360	0.000	1	114.2285	2.639	11	114.7705	3.259	14	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:O-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SCOO)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)(O)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SCOO){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	S(C[6a]N[6a]2)(CH3)(O)2	112.1765	0.814	2	112.1765	0.662	2	114.2285	2.639	11	114.7705	3.259	14	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:O-1:	C[6a](N[6a]C[6a])2(SCOO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)(O)2	C[6a](N[6a]C[6a])2(SCOO){1|C<3>,2|C<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)(O)2	114.5420	0.700	2	114.5420	0.490	2	114.2285	2.639	11	114.7705	3.259	14	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:O-1:	C[6a](N[6a]C[6a])2(SCOO)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)(O)2	C[6a](N[6a]C[6a])2(SCOO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S){1|H<1>,3|C<3>}	S(C[6a]N[6a]2)(CH3)(O)2	117.4020	0.000	1	117.4020	0.000	1	114.2285	2.639	11	114.7705	3.259	14	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:O-1:	C[6a](N[6a]C[6a])2(SCOO)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)(O)2	C[6a](N[6a]C[6a])2(SCOO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)(O)2	113.0800	0.000	1	113.0800	0.000	1	114.2285	2.639	11	114.7705	3.259	14	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	2:2:4:	3:3:	3:4:1:1:	N[6a]-2:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:O-1:	C[6a](N[6a]C[6a])2(SCOO)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	S(C[6a]N[6a]2)(CH3)(O)2	C[6a](N[6a]C[6a])2(SCOO){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)(CH3)(O)2	114.7648	1.095	4	114.7648	1.198	4	114.2285	2.639	11	114.7705	3.259	14	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:S-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SC[6a]OO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SC[6a]OO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	114.5765	0.603	2	114.5765	0.364	2	114.5765	0.364	2	115.1987	1.343	3	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	2:3:4:	3:3:	3:3:1:1:	N[6a]-2:C[6a]-3:S-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SNOO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(NHH)(O)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(SNOO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	S(C[6a]C[6a]N[6a])(NHH)(O)2	116.4430	0.000	1	116.4430	0.000	1	116.4430	0.000	1	115.1987	1.343	3	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:O-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(NC)(O)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SNOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	S(C[6a]C[6a]N[6a])(NC)(O)2	112.2510	0.068	2	112.2510	0.005	2	113.0118	1.399	4	113.8552	1.167	9	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(NC)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(NC)(O)2	114.7410	0.000	1	114.7410	0.000	1	113.0118	1.399	4	113.8552	1.167	9	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(NI)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]N[6a])(NI)(O)2	112.8040	0.000	1	112.8040	0.000	1	113.0118	1.399	4	113.8552	1.167	9	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SO3)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(OC[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SO3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(OC[6a])(O)2	114.5300	0.065	5	114.5300	0.004	5	114.5300	0.004	5	113.8552	1.167	9	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a,6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO)	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]Cl)	S(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO){1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]Cl){1|H<1>,2|C<3>}	S(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)2	110.8920	0.000	1	110.8920	0.000	1	112.5797	2.657	3	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a,6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO)	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)	S(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H){1|H<1>,2|C<3>}	S(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)2	114.1450	0.000	1	114.1450	0.000	1	112.5797	2.657	3	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a,6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO)	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]Cl)	S(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC[6a]OO){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]Cl){2|C<3>}	S(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)2	112.7020	0.000	1	112.7020	0.000	1	112.5797	2.657	3	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O-1:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(O)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6]OO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	S(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(O)2	116.4030	0.000	1	116.4030	0.000	1	116.4030	0.000	1	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(SC[6a]OO)	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a])(SC[6a]OO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	S(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	114.6630	0.000	1	114.6630	0.000	1	114.8987	0.189	3	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])2(O)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(SC[6a]OO){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|H<1>}	S(C[6a]C[6a]N[6a])2(O)2	115.0165	0.544	2	115.0165	0.296	2	114.8987	0.189	3	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(NCH)(O)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SNOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	S(C[6a]C[6a]N[6a])(NCH)(O)2	112.5330	0.891	7	112.5330	0.794	7	113.9745	3.320	16	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(NHH)(O)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SNOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|H<1>,2|C<3>}	S(C[6a]C[6a]N[6a])(NHH)(O)2	113.8390	0.000	1	113.8390	0.000	1	113.9745	3.320	16	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(NCH)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(NCH)(O)2	114.5610	0.000	1	114.5610	0.000	1	113.9745	3.320	16	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(NCH)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]N[6a])(NCH)(O)2	115.2920	0.000	1	115.8545	4.815	4	113.9745	3.320	16	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(NCH)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(NCH)(O)2	116.0420	2.648	3	115.8545	4.815	4	113.9745	3.320	16	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(NHH)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(NHH)(O)2	114.5070	0.000	1	114.5070	0.000	1	113.9745	3.320	16	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(NPdC)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SNOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(NPdC)(O)2	114.7680	0.000	2	114.7680	0.000	2	113.9745	3.320	16	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[3]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[3]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(N[3]C[3,5,6]2)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[3]OO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]N[6a])(N[3]C[3,5,6]2)(O)2	115.6760	0.000	1	115.6760	0.000	1	114.9765	0.979	2	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[3]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[3]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(N[3]C[3]2)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[3]OO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]N[6a])(N[3]C[3]2)(O)2	114.2770	0.000	1	114.2770	0.000	1	114.9765	0.979	2	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[5]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[5]OO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)2	114.3006	0.458	5	114.3006	0.209	5	114.2230	0.204	6	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[5]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(N[5]C[5]2)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[5]OO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(N[5]C[5]2)(O)2	113.8350	0.000	1	113.8350	0.000	1	114.2230	0.204	6	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[6]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SN[6]OO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(N[6]C[6]2)(O)2	114.1230	0.000	1	114.1230	0.000	1	114.1230	0.000	1	114.1201	2.371	32	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CCCH)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CCCH)(O)2	113.4010	0.000	1	113.4010	0.000	1	114.5628	1.567	15	114.5236	1.487	16	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CCHH)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CCHH)(O)2	113.6390	0.390	2	113.6390	0.152	2	114.5628	1.567	15	114.5236	1.487	16	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[6a]FH)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CC[6a]FH)(O)2	113.9780	0.000	1	113.9780	0.000	1	114.5628	1.567	15	114.5236	1.487	16	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CC[6a]HH)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CC[6a]HH)(O)2	114.4620	0.000	1	114.4620	0.000	1	114.5628	1.567	15	114.5236	1.487	16	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(CCl2H)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(CCl2H)(O)2	113.3975	0.074	2	113.3975	0.006	2	114.5628	1.567	15	114.5236	1.487	16	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H)	S(C[6a]C[6a]N[6a])(CC[6a]HH)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SCOO){1|H<1>,1|N<2>,1|S<4>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H){1|C<3>,1|H<1>}	S(C[6a]C[6a]N[6a])(CC[6a]HH)(O)2	115.3160	1.261	8	115.3160	1.589	8	114.5628	1.567	15	114.5236	1.487	16	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])(C[5]C[5]N[5]H)(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5]OO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(C[5]C[5]N[5]H)(O)2	113.9360	0.000	1	113.9360	0.000	1	113.9360	0.000	1	114.5236	1.487	16	114.4310	2.352	79	114.4310	2.352	79
643	371	952	0:SP2_SP2_SP3	C[6a]	N[6a]	S	3:2:4:	3:3:	4:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5]OO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S)	S(C[5]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SC[5]OO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	S(C[5]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(O)2	115.4860	0.000	1	115.4860	0.000	1	115.4860	0.000	1	115.4860	0.000	1	114.4310	2.352	79	114.4310	2.352	79
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	2:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHH)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHH){2|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N(C[6a]N[6a]2)(H)2	112.9465	0.100	4	112.9465	0.010	4	112.9465	0.010	4	112.9465	0.010	4	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	2:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H){2|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	110.6877	0.323	4	110.6877	0.104	4	110.6877	0.104	4	110.0553	1.102	6	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	2:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHN)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NOO)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHN){2|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N(C[6a]N[6a]2)(NOO)(H)	108.3450	0.000	1	108.3450	0.000	1	108.3450	0.000	1	110.0553	1.102	6	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	2:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H){2|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	109.2360	0.000	1	109.2360	0.000	1	109.2360	0.000	1	110.0553	1.102	6	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	2:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(NCC)	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)2	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(NCC){2|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(CC[6a]O)2	113.6770	0.000	1	113.6770	0.000	1	113.6770	0.000	1	113.6770	0.000	1	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|C<4>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(H)2	118.1030	0.000	1	116.9093	0.716	16	117.0944	0.966	18	117.0944	0.966	18	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.0210	0.532	5	116.9093	0.716	16	117.0944	0.966	18	117.0944	0.966	18	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	N(C[6a]N[6a]2)(H)2	115.8950	0.000	1	116.9093	0.716	16	117.0944	0.966	18	117.0944	0.966	18	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|N<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	N(C[6a]N[6a]2)(H)2	116.8273	0.937	9	116.9093	0.716	16	117.0944	0.966	18	117.0944	0.966	18	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](N[6a]N[6a])2(NHH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[6a])2(NHH){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|N<2>}	N(C[6a]N[6a]2)(H)2	118.5750	0.864	2	118.5750	0.747	2	117.0944	0.966	18	117.0944	0.966	18	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:2:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N-2:H-1:	C[6a](N[6a]N[6a])2(NHN)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]N[6a])2(NHN){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N(C[6a]N[6a]2)(NC)(H)	117.7625	2.855	2	117.7625	8.149	2	117.7625	8.149	2	117.7625	8.149	2	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[6a])2(NC[5a]H)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[6a])2(NC[5a]H){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	116.9285	3.673	2	116.9285	13.494	2	116.9880	13.617	4	117.4372	9.956	13	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[6a])2(NC[5a]H)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[5a]N[5a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]N[6a])2(NC[5a]H){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N(C[5a]N[5a]2)(C[6a]N[6a]2)(H)	117.0475	5.229	2	117.0475	27.343	2	116.9880	13.617	4	117.4372	9.956	13	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](N[6a]N[6a])2(NCH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(CNN)(H)	C[6a](N[6a]N[6a])2(NCH){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N(C[6a]N[6a]2)(CNN)(H)	117.3495	5.090	2	117.3495	25.913	2	117.3495	25.913	2	117.4372	9.956	13	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NC[6a]H)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NC[6a]H){2|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	117.4372	9.956	13	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N-3:H-1:	C[6a](N[6a]N[6a])2(NHN)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(NCH)(H)	C[6a](N[6a]N[6a])2(NHN){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N(C[6a]N[6a]2)(NCH)(H)	117.3155	1.832	2	117.3155	3.357	2	117.0795	6.830	6	117.4372	9.956	13	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N-3:H-1:	C[6a](N[6a]N[6a])2(NHN)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(NC[5]H)(H)	C[6a](N[6a]N[6a])2(NHN){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N(C[6a]N[6a]2)(NC[5]H)(H)	117.2395	5.298	2	117.2395	28.073	2	117.0795	6.830	6	117.4372	9.956	13	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N-3:H-1:	C[6a](N[6a]N[6a])2(NHN)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(NOO)(H)	C[6a](N[6a]N[6a])2(NHN){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N(C[6a]N[6a]2)(NOO)(H)	116.6835	1.498	2	116.6835	2.245	2	117.0795	6.830	6	117.4372	9.956	13	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]N[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)3	C[6a](N[6a]N[6a])2(NC[6a]2){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	N(C[6a]N[6a]2)3	116.5293	0.407	6	116.5293	0.166	6	116.5293	0.166	6	116.5293	0.166	6	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:H-1:	C[6a](N[6a]N[6a])2(NCH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]N[6a])2(NCH){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	N(C[6a]N[6a]2)(CCHH)(H)	117.6550	0.897	2	117.6550	0.804	2	117.6910	2.633	4	117.6910	2.633	4	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:H-1:	C[6a](N[6a]N[6a])2(NCH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]N[6a])2(NCH){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,1|N<2>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	117.7270	2.663	2	117.7270	7.091	2	117.6910	2.633	4	117.6910	2.633	4	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:2:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:C-4:	C[6a](N[6a]N[6a])2(NCC)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(CC[6a]HH)2	C[6a](N[6a]N[6a])2(NCC){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,1|N<2>}	N(C[6a]N[6a]2)(CC[6a]HH)2	117.8490	0.785	2	117.8490	0.616	2	117.8490	0.616	2	117.8490	0.616	2	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5,6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6,6a])(N[6a]C[6a])(NHH)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6,6a])(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]N[6a]N){1|C<3>,4|C<4>}	N(C[6a]N[6a]2)(H)2	116.3130	0.000	1	116.3130	0.000	1	116.3130	0.000	1	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]N[6a]N){1|C<3>,4|C<4>}	N(C[6a]N[6a]2)(H)2	117.4720	0.000	1	117.4720	0.000	1	117.0216	2.258	11	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)2	118.3533	0.778	3	117.1890	2.287	9	117.0216	2.258	11	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)2	115.9120	0.833	4	117.1890	2.287	9	117.0216	2.258	11	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|Co<6>,1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)2	116.7490	0.000	1	117.1890	2.287	9	117.0216	2.258	11	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)2	119.2440	0.000	1	117.1890	2.287	9	117.0216	2.258	11	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N(C[6a]N[6a]2)(H)2	115.0650	0.000	1	115.0650	0.000	1	117.0216	2.258	11	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(NHH)	N[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(H)2	116.7640	0.000	1	116.7640	0.000	1	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.4107	0.633	6	117.4572	0.298	38	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.5410	0.000	1	117.4572	0.298	38	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)2	116.9890	0.000	1	117.4572	0.298	38	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.0610	0.000	1	117.4572	0.298	38	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.7260	0.000	1	117.4572	0.298	38	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	118.3290	0.000	1	117.4572	0.298	38	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.8220	0.000	1	117.4572	0.298	38	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.7120	0.774	2	117.4572	0.298	38	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	116.9896	0.180	7	117.4572	0.298	38	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.2150	0.000	1	117.4572	0.298	38	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.4134	0.435	10	117.4572	0.298	38	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	118.3873	0.322	3	117.4572	0.298	38	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.7260	0.000	1	117.4572	0.298	38	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.4270	0.737	2	117.4572	0.298	38	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.1950	0.130	2	117.0368	0.549	6	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N(C[6a]N[6a]2)(H)2	116.9578	0.940	4	117.0368	0.549	6	117.3858	0.342	45	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(NHH)	N[6a](C[6,6a]C[5a,6,6a]S[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6,6a]C[5a,6,6a]S[6])(C[6a]N[6a]N){1|C<4>,2|C<3>}	N(C[6a]N[6a]2)(H)2	116.0700	0.000	1	116.0700	0.000	1	117.0870	0.334	7	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	N[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]N[6a]N){1|C<3>,1|H<1>,3|C<4>}	N(C[6a]N[6a]2)(H)2	117.8830	0.000	1	117.8830	0.000	1	117.0870	0.334	7	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	N(C[6a]N[6a]2)(H)2	116.7110	0.000	1	116.7110	0.000	1	117.0870	0.334	7	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]N[6a]2)(H)2	117.0760	0.000	1	117.0760	0.000	1	117.0870	0.334	7	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.1810	0.000	2	117.2897	0.035	3	117.0870	0.334	7	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.5070	0.000	1	117.2897	0.035	3	117.0870	0.334	7	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.8070	0.000	1	117.5320	0.060	3	117.5320	0.060	3	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.3945	0.086	2	117.5320	0.060	3	117.5320	0.060	3	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6,6a])(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[5,6,6a]C[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N(C[6a]N[6a]2)(H)2	116.9540	0.000	1	116.9540	0.000	1	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(H)2	116.2340	0.000	1	115.6955	1.846	4	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)2	115.5160	1.605	3	115.6955	1.846	4	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(H)2	117.2410	0.000	1	116.1895	2.211	2	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)2	115.1380	0.000	1	116.1895	2.211	2	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)2	115.5946	0.260	5	115.5946	0.068	5	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	115.6748	0.458	6	115.6748	0.210	6	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	116.3085	0.922	6	116.2174	0.766	7	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	115.6710	0.000	1	116.2174	0.766	7	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)2	115.1690	0.000	1	115.2006	0.050	18	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	115.1904	0.187	10	115.2006	0.050	18	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	115.2196	0.296	7	115.2006	0.050	18	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]N){2|C<3>,2|C<4>}	N(C[6a]N[6a]2)(H)2	116.0080	0.000	1	116.0080	0.000	1	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	115.7050	0.000	1	115.3610	0.237	2	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	115.0170	0.000	1	115.3610	0.237	2	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	114.8710	0.484	3	114.9945	0.217	4	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	115.3650	0.000	1	114.9945	0.217	4	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	115.8985	0.419	2	115.8985	0.176	2	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	116.3503	1.092	4	116.3503	1.192	4	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.6030	0.000	1	117.2185	0.296	2	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){3|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N(C[6a]N[6a]2)(H)2	116.8340	0.000	1	117.2185	0.296	2	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(H)2	117.2490	0.000	1	116.4110	0.527	3	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	115.9920	0.000	2	116.4110	0.527	3	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)2	114.7110	0.000	1	114.7110	0.000	1	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	116.7050	0.000	1	116.7050	0.000	1	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	115.0835	0.040	2	115.0835	0.002	2	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<4>,1|N<2>}	N(C[6a]N[6a]2)(H)2	116.6410	0.000	1	116.6410	0.000	1	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<2>}	N(C[6a]N[6a]2)(H)2	118.1792	0.450	5	118.1792	0.203	5	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	118.2560	0.000	1	117.9098	1.596	10	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	117.8713	1.334	9	117.9098	1.596	10	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N){1|H<1>,1|O<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.0880	0.000	1	117.0880	0.000	1	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	116.7308	0.373	4	116.7480	0.106	5	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)2	116.8170	0.000	1	116.7480	0.106	5	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.3518	0.764	9	117.1880	0.454	29	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){4|C<3>}	N(C[6a]N[6a]2)(H)2	117.3910	0.000	1	117.1880	0.454	29	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	N(C[6a]N[6a]2)(H)2	118.3160	0.000	1	117.1880	0.454	29	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|F<1>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.5845	0.088	2	117.1880	0.454	29	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.0190	0.000	1	117.1880	0.454	29	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.6255	0.333	4	117.1880	0.454	29	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.1530	0.000	1	117.1880	0.454	29	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(H)2	116.6737	0.514	10	117.1880	0.454	29	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.2438	0.315	4	117.4778	0.354	93	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	N(C[6a]N[6a]2)(H)2	116.6320	0.000	1	117.4778	0.354	93	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	116.5750	0.000	1	117.4778	0.354	93	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	116.8824	0.577	5	117.4778	0.354	93	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|C<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.3150	1.341	2	117.4778	0.354	93	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.6193	0.504	60	117.4778	0.354	93	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	116.9108	0.484	10	117.4778	0.354	93	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	117.0240	0.000	1	117.4778	0.354	93	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	118.0234	0.353	8	117.4778	0.354	93	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	116.7280	0.000	1	117.4778	0.354	93	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.3340	0.000	1	117.5047	0.294	3	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.0680	0.000	1	117.5047	0.294	3	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(H)2	118.1120	0.000	1	117.5047	0.294	3	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.3290	0.234	8	116.5337	0.620	38	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	N(C[6a]N[6a]2)(H)2	116.8300	0.000	1	116.5337	0.620	38	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	116.3119	0.703	14	116.5337	0.620	38	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	115.9214	0.563	11	116.5337	0.620	38	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.2955	0.086	2	116.5337	0.620	38	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.3640	0.670	2	116.5337	0.620	38	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(H)2	117.0716	0.586	5	117.5455	0.478	109	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	116.9554	0.732	8	117.5455	0.478	109	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.4305	0.086	2	117.5455	0.478	109	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	N(C[6a]N[6a]2)(H)2	119.2470	0.683	2	117.5455	0.478	109	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<2>,1|C<3>}	N(C[6a]N[6a]2)(H)2	117.4557	0.323	6	117.5455	0.478	109	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.7029	0.607	47	117.5455	0.478	109	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|I<1>}	N(C[6a]N[6a]2)(H)2	117.0200	0.000	1	117.5455	0.478	109	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)2	117.1392	0.812	5	117.5455	0.478	109	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Cl<1>,1|C<3>}	N(C[6a]N[6a]2)(H)2	117.4120	0.000	1	117.5455	0.478	109	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	117.7107	0.675	23	117.5455	0.478	109	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(H)2	117.0120	0.000	1	117.5455	0.478	109	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>}	N(C[6a]N[6a]2)(H)2	117.0375	0.243	2	117.5455	0.478	109	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.1298	0.519	6	117.5455	0.478	109	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	N(C[6a]N[6a]2)(H)2	116.7810	0.000	1	117.0414	0.680	73	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	116.7544	0.604	5	117.0414	0.680	73	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(H)2	117.3384	0.595	5	117.0414	0.680	73	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	116.7083	0.618	8	117.0414	0.680	73	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	117.4199	0.671	16	117.0414	0.680	73	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	116.7250	0.483	4	117.0414	0.680	73	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	115.9840	0.116	2	117.0414	0.680	73	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	116.2944	0.858	14	117.0414	0.680	73	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	N(C[6a]N[6a]2)(H)2	116.6500	0.000	1	117.0414	0.680	73	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.4175	0.456	8	117.0414	0.680	73	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	117.9343	0.490	9	117.0414	0.680	73	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.3760	0.010	2	116.7800	1.628	4	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	N(C[6a]N[6a]2)(H)2	116.1840	1.861	2	116.7800	1.628	4	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N){1|N<3>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.8505	0.431	2	117.8505	0.185	2	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	N(C[6a]N[6a]2)(H)2	116.7260	0.000	1	116.9005	0.829	21	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	N(C[6a]N[6a]2)(H)2	116.4230	0.279	2	116.9005	0.829	21	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|N<2>,2|C<4>}	N(C[6a]N[6a]2)(H)2	118.0820	0.000	1	116.9005	0.829	21	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	N(C[6a]N[6a]2)(H)2	117.6200	0.000	1	116.9005	0.829	21	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	N(C[6a]N[6a]2)(H)2	116.0045	0.433	2	116.9005	0.829	21	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|N<2>,2|C<4>}	N(C[6a]N[6a]2)(H)2	116.2990	0.570	2	116.9005	0.829	21	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	N(C[6a]N[6a]2)(H)2	116.3317	0.948	4	116.9005	0.829	21	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	N(C[6a]N[6a]2)(H)2	117.1302	0.545	6	116.9005	0.829	21	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	N(C[6a]N[6a]2)(H)2	118.4610	0.779	2	116.9005	0.829	21	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|C<3>,2|N<2>}	N(C[6a]N[6a]2)(H)2	116.4770	0.000	1	117.1250	1.822	228	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	116.9546	1.465	18	117.1250	1.822	228	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]N[6a]2)(H)2	117.1525	1.347	207	117.1250	1.822	228	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<4>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]N[6a]2)(H)2	115.7170	0.000	1	117.1250	1.822	228	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]N[6a]2)(H)2	116.5520	0.000	1	117.1250	1.822	228	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	116.9265	0.260	2	116.5938	0.996	82	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	116.9295	0.093	2	116.5938	0.996	82	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	115.2604	0.771	17	116.5938	0.996	82	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)2	116.9300	0.037	2	116.5938	0.996	82	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	115.5530	0.225	2	116.5938	0.996	82	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.0963	0.576	42	116.5938	0.996	82	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	116.6788	0.934	10	116.5938	0.996	82	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)2	116.8860	2.015	2	116.5938	0.996	82	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.1680	0.163	2	116.5938	0.996	82	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	115.6450	0.000	1	116.5938	0.996	82	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	116.3390	0.000	1	116.8388	0.246	8	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.0323	0.403	6	116.8388	0.246	8	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	116.1770	0.000	1	116.8388	0.246	8	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.7830	0.000	1	117.7830	0.000	1	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(H)2	119.3900	0.000	1	117.1423	0.753	23	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(H)2	116.7886	0.534	18	117.1423	0.753	23	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(H)2	118.1725	0.231	4	117.1423	0.753	23	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N){3|C<3>}	N(C[6a]N[6a]2)(H)2	116.1870	1.355	8	116.8868	2.245	12	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|C<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)2	118.2865	0.181	4	116.8868	2.245	12	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(H)2	116.8004	0.461	7	116.8004	0.213	7	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(H)2	115.6410	0.000	1	117.3101	2.474	7	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(H)2	116.9047	1.556	3	117.3101	2.474	7	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(H)2	116.7460	0.000	1	117.3101	2.474	7	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|H<1>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(H)2	119.0350	0.673	2	117.3101	2.474	7	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(H)2	118.3560	0.000	1	117.8367	0.458	3	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]N[6a]2)(H)2	117.5770	0.716	2	117.8367	0.458	3	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	N(C[6a]N[6a]2)(H)2	118.4800	0.000	1	117.8750	0.307	3	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	N(C[6a]N[6a]2)(H)2	117.5725	0.254	2	117.8750	0.307	3	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(H)2	117.6988	1.434	243	117.7415	2.609	482	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<4>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(H)2	118.7060	0.000	1	117.7415	2.609	482	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(H)2	118.2142	0.538	16	117.7415	2.609	482	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(H)2	119.0288	0.198	6	117.7415	2.609	482	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(H)2	118.7310	1.969	3	117.7415	2.609	482	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,1|N<3>,1|N<4>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(H)2	118.3506	2.466	16	117.7415	2.609	482	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(H)2	117.5988	1.762	192	117.7415	2.609	482	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<3>,2|N<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(H)2	116.9750	0.000	1	117.7415	2.609	482	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){3|N<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(H)2	120.1283	1.840	4	117.7415	2.609	482	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]N[6a]2)(H)2	117.6195	0.316	2	117.6195	0.100	2	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N(C[6a]N[6a]2)(H)2	116.6355	0.531	2	116.5973	0.145	3	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<3>,2|N<2>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N(C[6a]N[6a]2)(H)2	116.5210	0.000	1	116.5973	0.145	3	117.2907	1.841	1320	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHH)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHH){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|Cl<1>,3|N<2>}	N(C[6a]N[6a]2)(H)2	120.3370	0.000	1	120.2338	0.036	4	120.2338	0.036	4	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHH)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHH){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){4|N<2>}	N(C[6a]N[6a]2)(H)2	120.1993	0.215	3	120.2338	0.036	4	120.2338	0.036	4	117.2989	1.803	1391	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:2:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(NC)(H)	116.3410	3.951	2	116.3410	15.613	2	116.3547	8.554	8	116.3547	8.554	8	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:2:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	N(C[6a]N[6a]2)(NC)(H)	116.8290	3.041	2	116.5343	10.302	4	116.3547	8.554	8	116.3547	8.554	8	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:2:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>}	N(C[6a]N[6a]2)(NC)(H)	116.2395	4.617	2	116.5343	10.302	4	116.3547	8.554	8	116.3547	8.554	8	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:2:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(NC)(H)	C[6a](N[6a]C[6a])2(NHN){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(NC)(H)	116.0095	3.604	2	116.0095	12.990	2	116.3547	8.554	8	116.3547	8.554	8	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCH){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(CNO)(H)	119.7070	0.000	1	119.7070	0.000	1	119.7070	0.000	1	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H){1|C<2>,1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.1990	0.499	2	120.1990	0.249	2	118.3400	10.492	3	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H){1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	114.6220	0.000	1	114.6220	0.000	1	118.3400	10.492	3	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]H){1|C<3>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	114.2640	0.000	1	114.2640	0.000	1	114.2640	0.000	1	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[5a]H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	116.1065	3.158	4	116.1065	9.972	4	116.4678	5.477	14	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[5a]H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[5a]N[5a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[5a]N[5a]2)(C[6a]N[6a]2)(H)	116.4350	2.541	4	116.4350	6.458	4	116.4678	5.477	14	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[5a]H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[5a]N[5a]S[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]N[6a]2)(H)	116.0975	1.668	2	116.0975	2.782	2	116.4678	5.477	14	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[5a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[5a]N[5a]S[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]N[6a]2)(H)	116.3220	2.592	2	116.3220	6.720	2	116.4678	5.477	14	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[5a]H)	N[6a](C[6a]N[6a]F)(C[6a]N[6a]N)	N(C[5a]C[5a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H){1|N<2>,2|F<1>}	N[6a](C[6a]N[6a]F)(C[6a]N[6a]N){1|C<3>}	N(C[5a]C[5a]2)(C[6a]N[6a]2)(H)	117.7720	2.857	2	117.7720	8.161	2	116.4678	5.477	14	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCH){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CNO)(H)	111.4550	0.000	1	111.4550	0.000	1	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CCH)(H)	116.8183	2.371	4	116.8183	5.619	4	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CNS)(H)	116.1554	3.812	8	116.1554	14.531	8	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]N){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	N(C[6a]N[6a]2)(CNO)(H)	118.9460	0.000	1	118.9460	0.000	1	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)(H)	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]O)(H)	116.3785	1.600	2	116.3785	2.561	2	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CNO)(H)	116.7085	2.177	2	116.7085	4.740	2	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CNS)(H)	113.0110	0.000	1	113.0110	0.000	1	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[3x6]O)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CC[3x6]O)(H)	116.2315	2.136	2	116.2315	4.563	2	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	N(C[6a]N[6a]2)(CC[6a]O)(H)	116.7960	3.759	2	116.6550	8.123	6	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]O)(H)	116.2760	3.427	2	116.6550	8.123	6	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Cl<1>,1|C<3>}	N(C[6a]N[6a]2)(CC[6a]O)(H)	116.8930	3.782	2	116.6550	8.123	6	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CNO)(H)	113.9680	0.086	2	113.9680	0.007	2	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CNS)(H)	116.7695	2.420	8	116.7695	5.856	8	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CNO)(H)	118.8870	0.000	1	118.8870	0.000	1	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CCO)(H)	116.0747	3.618	6	116.0747	13.086	6	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CNO)(H)	113.4150	0.000	1	116.3044	5.642	40	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CNO)(H)	119.3560	0.185	2	116.3044	5.642	40	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CNO)(H)	113.4860	0.000	1	116.3044	5.642	40	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CNO)(H)	116.1836	2.267	34	116.3044	5.642	40	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CNO)(H)	118.1610	2.840	2	116.3044	5.642	40	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CNS)(H)	118.8710	0.000	1	118.8710	0.000	1	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CNO)(H)	117.5225	2.682	4	117.5225	7.193	4	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]N[6a]2)(CNO)(H)	116.1128	2.849	4	115.6240	7.280	5	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]N[6a]2)(CNO)(H)	113.6690	0.000	1	115.6240	7.280	5	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CNO)(H)	119.9900	0.000	1	119.9900	0.000	1	116.3702	6.803	95	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(C[6]N[6]2)(H)	C[6a](N[6a]C[6a])2(NC[6]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(C[6]N[6]2)(H)	117.7765	0.363	2	117.7765	0.132	2	117.7765	0.132	2	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H){1|C<2>,1|C<3>,1|N<2>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	112.3525	0.740	2	112.3525	0.548	2	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H){1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	119.4490	0.000	1	119.4490	0.000	1	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	118.9450	0.000	1	118.9450	0.000	1	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NC[6a]H){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	112.3480	0.000	1	112.3480	0.000	1	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N){1|H<1>,1|S<2>,2|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	119.6310	0.393	4	119.6310	0.154	4	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|F<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.5800	0.000	1	119.6923	1.198	4	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	119.3963	1.128	3	119.6923	1.198	4	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	115.8576	3.972	8	115.8576	15.777	8	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)2(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)2(H)	116.2947	2.862	4	116.2947	8.193	4	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]C[3])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[3])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	119.3570	0.000	1	119.3570	0.000	1	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	113.4510	0.000	1	113.4510	0.000	1	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	117.1090	2.806	20	116.2067	7.920	28	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	113.0930	0.000	1	116.2067	7.920	28	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	114.0734	1.032	7	116.2067	7.920	28	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	119.8460	0.000	1	119.8460	0.000	1	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	116.0873	2.954	3	116.0873	8.723	3	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	115.4525	0.902	2	115.4525	0.813	2	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	114.9037	0.494	7	115.8111	5.184	17	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	114.6068	0.823	4	115.8111	5.184	17	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	117.6725	3.069	6	115.8111	5.184	17	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	115.3170	0.000	1	115.3170	0.000	1	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.7973	0.735	4	120.7973	0.541	4	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.1660	0.000	1	120.1660	0.000	1	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N)2	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	118.4866	2.567	5	117.7356	6.801	30	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N)2	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	119.5960	0.705	6	117.7356	6.801	30	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N)2	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	116.9504	2.719	19	117.7356	6.801	30	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	119.6760	0.000	1	116.8740	15.702	2	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){3|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	114.0720	0.000	1	116.8740	15.702	2	116.9281	8.473	116	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NC[6a]C)(H)	C[6a](N[6a]C[6a])2(NHN){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(NC[6a]C)(H)	114.9270	0.000	1	114.9431	0.389	11	116.9118	4.294	22	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NC[6a]C)(H)	C[6a](N[6a]C[6a])2(NHN){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(NC[6a]C)(H)	114.9447	0.658	10	114.9431	0.389	11	116.9118	4.294	22	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(NC[6a]C)(H)	C[6a](N[6a]C[6a])2(NHN){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]N[6a]2)(NC[6a]C)(H)	118.8834	0.334	10	118.8834	0.112	10	116.9118	4.294	22	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(NC[6a]C)(H)	C[6a](N[6a]C[6a])2(NHN){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(NC[6a]C)(H)	118.8510	0.000	1	118.8510	0.000	1	116.9118	4.294	22	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|C<4>,3|N<2>}	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	120.9520	0.000	1	120.7703	0.097	4	120.7703	0.097	4	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|H<1>,3|N<2>}	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	120.8290	0.400	2	120.7703	0.097	4	120.7703	0.097	4	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|N<3>,3|N<2>}	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	120.4710	0.000	1	120.7703	0.097	4	120.7703	0.097	4	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHN)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(NOO)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHN){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|H<1>,3|N<2>}	N(C[6a]N[6a]2)(NOO)(H)	123.1500	0.000	1	123.1500	0.000	1	123.1500	0.000	1	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|H<1>,3|N<2>}	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	121.6630	0.000	1	121.6630	0.000	1	121.6630	0.000	1	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:S[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[5a,6a])(S[6a]C[6a])(NCH)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]S[6a]N)	N(C[6a]N[6a]S[6a])(CC[6a]O)(H)	C[6a](N[6a]C[5a,6a])(S[6a]C[6a])(NCH){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]S[6a]N){3|C<3>}	N(C[6a]N[6a]S[6a])(CC[6a]O)(H)	115.9830	0.000	1	115.9830	0.000	1	115.9830	0.000	1	116.8194	7.575	261	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(COO)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,3|C<3>}	N(C[6a]N[6a]2)(COO)2	116.4840	0.000	1	116.4840	0.000	1	116.4840	0.000	1	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(NCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)2	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(NCC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(CC[6a]O)2	117.6910	0.000	1	117.6910	0.000	1	117.6910	0.000	1	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]C){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	117.7360	0.204	2	117.7360	0.041	2	117.7360	0.041	2	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(NC[6a]2)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(NC[6a]2){1|N<3>,2|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	116.4910	0.940	4	116.4910	0.884	4	116.3661	0.708	8	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(NC[6a]2)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(NC[6a]2){1|N<2>,2|N<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	115.7780	0.000	1	116.2413	0.725	4	116.3661	0.708	8	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(NC[6a]2)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(NC[6a]2){1|N<2>,2|N<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	117.0340	0.000	1	116.2413	0.725	4	116.3661	0.708	8	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(NC[6a]2)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(NC[6a]2){1|N<3>,2|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	116.0765	1.131	2	116.2413	0.725	4	116.3661	0.708	8	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]2)	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]N)	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6]2){1|N<2>,2|C<3>}	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]N){1|S<2>,2|C<3>}	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	116.6390	0.447	2	116.6390	0.200	2	116.3359	1.838	54	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]2)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6]2){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	116.1390	0.379	6	116.1390	0.144	6	116.3359	1.838	54	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]2)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6]2){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	117.1317	1.517	12	117.1317	2.302	12	116.3359	1.838	54	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]2)	N[6a](C[6a]N[6a]N)2	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6]2){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	116.6168	0.660	6	116.0720	1.843	34	116.3359	1.838	54	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]2)	N[6a](C[6a]N[6a]N)2	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6]2){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	115.9552	1.446	28	116.0720	1.843	34	116.3359	1.838	54	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(COO)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(COO)2	115.2050	0.000	1	115.2050	0.000	1	115.2050	0.000	1	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]C){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	113.7400	0.298	2	113.7400	0.089	2	115.3537	1.745	8	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	C[6a](N[6a]C[6a])2(NC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	116.0487	0.562	4	116.0487	0.316	4	115.3537	1.745	8	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	C[6a](N[6a]C[6a])2(NC[6a]C){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<2>,1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	116.9810	0.000	1	116.9810	0.000	1	115.3537	1.745	8	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	C[6a](N[6a]C[6a])2(NC[6a]C){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<2>,1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	114.1740	0.000	1	114.1740	0.000	1	115.3537	1.745	8	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	117.3120	0.068	2	117.3120	0.005	2	116.5058	2.659	49	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	117.3530	0.466	3	117.6136	1.123	5	116.5058	2.659	49	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	118.0045	1.883	2	117.6136	1.123	5	116.5058	2.659	49	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	117.5440	0.829	3	117.3717	0.576	4	116.5058	2.659	49	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	116.8550	0.000	1	117.3717	0.576	4	116.5058	2.659	49	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	117.0717	1.139	4	117.0717	1.298	4	116.5058	2.659	49	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]N)2	N(C[6a]C[6a]2)(C[6a]N[6a]2)2	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)2	115.6418	1.696	20	115.6418	2.877	20	116.5058	2.659	49	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]N)2	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	116.7917	1.665	12	116.7917	2.772	12	116.5058	2.659	49	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]N)2	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	116.9910	2.065	2	116.9910	4.263	2	116.5058	2.659	49	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:S[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[6a]C[6a])(S[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]S[6a]N)	N(C[6a]N[6a]S[6a])(C[6a]C[6a]2)(CCO)	C[6a](N[6a]C[6a])(S[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]S[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]S[6a])(C[6a]C[6a]2)(CCO)	116.0490	0.000	1	116.0490	0.000	1	116.0490	0.000	1	116.3647	2.084	125	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)(CH3)	C[6a](N[6a]C[6a])2(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]O)(CH3)	116.3205	0.199	2	116.3205	0.039	2	116.3205	0.039	2	117.0960	1.239	79	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	116.9500	0.000	1	116.9500	0.000	1	117.1663	1.347	70	117.0960	1.239	79	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	117.4520	0.000	1	117.4520	0.000	1	117.1663	1.347	70	117.0960	1.239	79	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	117.0735	0.408	2	117.0735	0.166	2	117.1663	1.347	70	117.0960	1.239	79	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]HH)	117.1639	0.919	8	117.1639	0.844	8	117.1663	1.347	70	117.0960	1.239	79	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	116.1456	0.540	18	116.1456	0.292	18	117.1663	1.347	70	117.0960	1.239	79	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]N[6a]N)2	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	117.0960	0.502	2	116.5593	1.218	9	117.1663	1.347	70	117.0960	1.239	79	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]N[6a]N)2	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	C[6a](N[6a]C[6a])2(NC[6a]C){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	116.4060	1.208	7	116.5593	1.218	9	117.1663	1.347	70	117.0960	1.239	79	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]N[6a]N)2	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]HH)	117.2164	1.005	8	117.2164	1.009	8	117.1663	1.347	70	117.0960	1.239	79	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]N[6a]N)2	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	118.5288	0.592	18	118.2187	0.872	22	117.1663	1.347	70	117.0960	1.239	79	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]N[6a]N)2	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(NC[6a]C){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	116.8233	0.971	4	118.2187	0.872	22	117.1663	1.347	70	117.0960	1.239	79	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	117.5860	0.000	1	117.5860	0.000	1	117.1663	1.347	70	117.0960	1.239	79	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:C-4:	C[6a](N[6a]C[6a])2(NCN)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(NC[6a]C)(CH3)	C[6a](N[6a]C[6a])2(NCN){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]N[6a]2)(NC[6a]C)(CH3)	116.6110	0.307	4	116.6110	0.095	4	116.6146	0.084	7	117.0960	1.239	79	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:C-4:	C[6a](N[6a]C[6a])2(NCN)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(NC[6a]C)(CH3)	C[6a](N[6a]C[6a])2(NCN){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(NC[6a]C)(CH3)	116.6193	0.334	3	116.6193	0.111	3	116.6146	0.084	7	117.0960	1.239	79	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CC3)(H)	120.2390	0.000	1	120.2390	0.000	1	118.0345	3.719	4	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|C<3>,1|N<3>,2|N<2>}	N(C[6a]N[6a]2)(CCHH)(H)	116.4930	0.880	2	117.2997	2.339	3	118.0345	3.719	4	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	118.9130	0.000	1	117.2997	2.339	3	118.0345	3.719	4	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N){4|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	115.3030	0.000	1	115.3030	0.000	1	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(CC3)(H)	113.5160	0.000	1	113.5160	0.000	1	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CCHH)(H)	115.9050	0.372	2	115.9050	0.138	2	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	117.8870	0.000	1	117.3133	1.049	7	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<2>,3|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	117.3660	1.284	4	117.3133	1.049	7	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	116.9210	0.837	2	117.3133	1.049	7	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	117.0350	0.000	1	117.0350	0.000	1	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	116.8990	0.000	1	116.5910	0.190	2	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CCHH)(H)	116.2830	0.000	1	116.5910	0.190	2	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	117.3720	0.000	1	116.7174	1.550	24	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	116.6879	1.295	22	116.7174	1.550	24	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	116.7130	0.000	1	116.7174	1.550	24	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CCHH)(H)	117.3415	1.653	2	117.3415	2.731	2	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CCHH)(H)	117.2672	1.266	6	117.2672	1.604	6	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	117.2260	1.183	4	117.2260	1.399	4	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HN)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]HN)(H)	116.9756	1.030	12	116.9756	1.060	12	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	N(C[6a]N[6a]2)(CH3)(H)	117.8995	0.907	2	117.8995	0.823	2	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	116.9510	0.181	2	116.9510	0.033	2	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(CH3)(H)	114.5650	0.000	1	114.5650	0.000	1	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|Br<1>,1|C<3>,2|C<4>}	N(C[6a]N[6a]2)(CCHH)(H)	117.3050	0.000	1	117.3050	0.000	1	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	116.2620	0.000	1	116.3279	0.526	7	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	115.5685	0.131	2	116.3279	0.526	7	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	117.0865	0.657	2	116.3279	0.526	7	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	116.3615	0.631	2	116.3279	0.526	7	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(CH3)(H)	117.7780	0.000	1	117.7780	0.000	1	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	117.1160	0.519	4	117.1160	0.269	4	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CC3)(H)	114.8492	0.480	8	114.8199	0.210	9	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,2|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CC3)(H)	114.5850	0.000	1	114.8199	0.210	9	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCCH)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CCCH)(H)	116.2800	0.173	2	116.2800	0.030	2	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	116.2499	0.789	18	116.8861	1.711	28	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	118.0314	1.301	10	116.8861	1.711	28	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[5]HH)(H)	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CC[5]HH)(H)	117.4730	1.215	2	117.4730	1.476	2	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	117.0680	0.000	1	117.0680	0.000	1	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	118.9230	0.000	1	116.3717	4.884	3	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	115.0960	0.058	2	116.3717	4.884	3	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CC3)(H)	120.2238	0.515	6	120.3163	0.281	7	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,2|N<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CC3)(H)	120.8710	0.000	1	120.3163	0.281	7	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CCCH)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CCCH)(H)	118.8615	0.682	2	118.8615	0.466	2	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	118.3364	0.786	18	117.7922	1.101	28	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	116.8127	0.691	10	117.7922	1.101	28	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	119.6575	0.267	2	117.0683	1.792	36	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	116.9160	1.212	34	117.0683	1.792	36	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CH3)(H)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CH3)(H)	117.0230	0.776	10	117.0230	0.602	10	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N(C[6a]N[6a]2)(CC3)(H)	120.5650	0.419	2	118.8465	5.759	4	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N(C[6a]N[6a]2)(CC3)(H)	117.1280	2.300	2	118.8465	5.759	4	117.0959	2.095	212	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](N[6a]C[6a])2(NC[6]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[6a])2(NC[6]H){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	117.7138	0.676	4	117.7138	0.457	4	117.5980	0.692	8	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](N[6a]C[6a])2(NC[6]H)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[6a])2(NC[6]H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	117.1800	0.000	1	116.7235	0.417	2	117.5980	0.692	8	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](N[6a]C[6a])2(NC[6]H)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[6a])2(NC[6]H){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	116.2670	0.000	1	116.7235	0.417	2	117.5980	0.692	8	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](N[6a]C[6a])2(NC[6]H)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[6a])2(NC[6]H){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	118.8090	0.000	1	118.8090	0.000	1	117.5980	0.692	8	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](N[6a]C[6a])2(NC[6]H)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[6a])2(NC[6]H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	117.6730	0.000	1	117.6730	0.000	1	117.5980	0.692	8	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(SC[6a]OO)(H)	118.9728	1.033	43	117.5944	4.830	91	116.3739	6.631	164	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(SC[6a]OO)(H)	115.6960	2.162	2	117.5944	4.830	91	116.3739	6.631	164	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(SC[6a]OO)(H)	116.3885	2.257	46	117.5944	4.830	91	116.3739	6.631	164	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(SC[6a]OO)(H)	113.6797	1.004	43	114.7454	4.560	69	116.3739	6.631	164	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(SC[6a]OO)(H)	116.4472	2.248	20	114.7454	4.560	69	116.3739	6.631	164	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|O<2>}	N(C[6a]N[6a]2)(SC[6a]OO)(H)	116.7107	2.891	6	114.7454	4.560	69	116.3739	6.631	164	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(SC[6a]OO)(H)	116.7135	4.043	2	116.7135	16.342	2	116.3739	6.631	164	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]N[6a]2)(SC[6a]OO)(H)	116.6800	0.919	2	116.6800	0.845	2	116.3739	6.631	164	116.8108	4.130	388	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)(COO)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,3|C<3>}	N(C[6a]N[6a]2)(CH3)(COO)	114.7270	0.000	1	114.7270	0.000	1	114.7270	0.000	1	117.0972	5.530	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)(COO)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(CH3)(COO)	116.5620	0.000	1	116.5620	0.000	1	117.3606	5.441	9	117.0972	5.530	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)(COO)	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(CH3)(COO)	117.6260	0.000	1	118.4675	1.416	2	117.3606	5.441	9	117.0972	5.530	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)(COO)	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(CH3)(COO)	119.3090	0.000	1	118.4675	1.416	2	117.3606	5.441	9	117.0972	5.530	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)(COO)	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(CH3)(COO)	114.2990	0.000	1	113.8000	0.498	2	117.3606	5.441	9	117.0972	5.530	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)(COO)	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(CH3)(COO)	113.3010	0.000	1	113.8000	0.498	2	117.3606	5.441	9	117.0972	5.530	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)(CNO)	C[6a](N[6a]C[6a])2(NCC){1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CH3)(CNO)	120.4830	0.000	1	120.4830	0.000	1	117.3606	5.441	9	117.0972	5.530	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(CCC)	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)(CCC)	117.9410	0.000	1	117.9410	0.000	1	117.3606	5.441	9	117.0972	5.530	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(CC[6a]HH)(CCC)	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)(CCC)	117.6280	0.000	1	117.6280	0.000	1	117.3606	5.441	9	117.0972	5.530	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(CH3)(CNO)	C[6a](N[6a]C[6a])2(NCC){1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]N[6a]2)(CH3)(CNO)	119.0960	0.000	1	119.0960	0.000	1	117.3606	5.441	9	117.0972	5.530	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC){1|C<3>,2|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]N[6a]2)(CH3)2	116.4260	0.000	1	116.4260	0.000	1	116.0010	0.361	2	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(CH3)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC){1|O<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|S<4>,2|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)(CH3)	115.5760	0.000	1	115.5760	0.000	1	116.0010	0.361	2	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(CCHH)2	116.6900	0.000	1	116.6900	0.000	1	117.6510	1.041	7	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(CH3)2	116.9130	0.110	3	116.9130	0.012	3	117.6510	1.041	7	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(CCHH)2	119.1600	0.000	1	119.1600	0.000	1	117.6510	1.041	7	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]N[6a]2)(CH3)2	118.4840	0.016	2	118.4840	0.000	2	117.6510	1.041	7	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]N[6a]2)(CH3)2	117.9270	0.000	1	118.4025	0.452	2	117.1952	1.357	5	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]N[6a]2)(CH3)2	118.8780	0.000	1	118.4025	0.452	2	117.1952	1.357	5	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a,6a])2(NCC)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a,6a])2(NCC){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CH3)2	116.3903	0.242	3	116.3903	0.058	3	117.1952	1.357	5	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC){1|C<3>,2|C<4>}	N[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(CH3)2	116.8930	0.000	1	116.8930	0.000	1	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]N[5,6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(CH3)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC){1|O<1>,2|N<3>}	N[6a](C[6a]N[5,6a]O)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)(CH3)	118.4600	0.000	1	118.4600	0.000	1	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CCHH)2	115.8460	0.000	1	115.8460	0.000	1	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CH3)2	115.6180	0.479	3	115.6180	0.230	3	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(CCHH)2	115.0380	0.000	1	115.0380	0.000	1	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(CH3)2	115.8775	0.776	2	115.8775	0.602	2	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(CH3)2	116.3590	0.000	1	116.3460	0.000	2	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(CH3)2	116.3330	0.000	1	116.3460	0.000	2	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(CH3)2	116.5280	0.000	1	116.5280	0.000	1	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a])2(NCC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CCHH)2	116.6390	0.916	4	116.6390	0.838	4	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(CH3)2	117.8170	0.000	1	117.8170	0.000	1	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(CH3)	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(CCHH)(CH3)	117.0265	1.242	2	117.0265	1.544	2	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<2>,1|C<3>}	N(C[6a]N[6a]2)(CCHH)2	117.3910	0.000	1	117.0754	0.175	7	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(CCHH)2	117.0627	0.549	4	117.0754	0.175	7	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(CCHH)2	116.9430	0.106	2	117.0754	0.175	7	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(CH3)2	117.0780	0.000	1	117.0780	0.000	1	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(CH3)	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(CCHH)(CH3)	118.0990	1.230	2	118.0990	1.514	2	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<2>,1|C<3>}	N(C[6a]N[6a]2)(CCHH)2	117.7220	0.000	1	118.2610	0.162	7	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(CCHH)2	118.1960	0.324	4	118.2610	0.162	7	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(CCHH)2	118.6605	0.175	2	118.2610	0.162	7	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(CH3)2	117.2910	0.000	1	117.2910	0.000	1	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]N[6a]2)(CH3)2	118.0380	0.000	1	118.0380	0.000	1	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(CH3)2	117.1730	0.000	1	117.1730	0.000	1	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCCH)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CCCH)2	116.7980	0.238	2	116.7980	0.056	2	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CCHH)2	117.0348	0.220	4	117.0348	0.049	4	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6]HH)(CCHH)	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CC[6]HH)(CCHH)	116.9550	0.000	1	117.3398	1.513	4	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6]HH)(CCHH)	C[6a](N[6a]C[6a])2(NCC){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CC[6]HH)(CCHH)	117.4680	1.473	3	117.3398	1.513	4	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)2	117.9665	0.261	2	117.9665	0.068	2	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]N[6a]2)(CCHH)2	117.0605	0.230	2	117.5491	0.310	9	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]N[6a]2)(CCHH)2	117.6887	0.549	7	117.5491	0.310	9	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]N[6a]2)(CH3)2	119.1110	0.000	1	118.7600	0.246	2	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]N[6a]2)(CH3)2	118.4090	0.000	1	118.7600	0.246	2	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	N(C[6a]N[6a]2)(CCHH)2	117.3400	0.000	1	117.3400	0.000	1	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	N(C[6a]N[6a]2)(CC[6]HH)(CCHH)	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	N(C[6a]N[6a]2)(CC[6]HH)(CCHH)	118.8350	0.000	1	118.8350	0.000	1	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CCCH)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CCCH)2	119.5305	0.037	2	119.5305	0.001	2	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CCHH)2	118.5027	1.102	4	117.1921	0.953	64	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CCHH)2	117.1530	0.117	2	117.1921	0.953	64	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CCHH)2	117.1031	0.927	58	117.1921	0.953	64	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CC[6a]HH)(CC[6]HH)	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)(CC[6]HH)	116.5935	0.587	4	116.5935	0.344	4	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CC[6a]HH)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)2	116.4975	0.411	2	116.8977	0.392	12	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CC[6a]HH)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)2	116.9511	0.728	8	116.8977	0.392	12	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CC[6a]HH)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<4>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)2	117.0845	0.158	2	116.8977	0.392	12	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CH3)2	117.4830	0.969	2	117.1127	0.227	23	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CH3)2	116.6320	0.000	1	117.1127	0.227	23	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(CH3)2	117.0997	0.431	20	117.1127	0.227	23	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N){3|C<3>}	N(C[6a]N[6a]2)(CCHH)2	118.0900	0.151	2	118.0900	0.023	2	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]Se)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a])2(NCC){2|Se<2>,1|N<2>}	N[6a](C[6a]N[6a]Se)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(CCHH)2	118.1050	0.921	6	118.1050	0.848	6	117.2384	0.876	177	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6a](N[6a]C[6a])2(NC[6]C){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	118.2970	0.000	1	118.2970	0.000	1	117.3140	0.336	16	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6a](N[6a]C[6a])2(NC[6]C){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	117.3250	0.000	1	117.3250	0.000	1	117.3140	0.336	16	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CC[6a]HH)	C[6a](N[6a]C[6a])2(NC[6]C){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(CC[6a]HH)	116.7135	0.692	2	116.7135	0.479	2	117.3140	0.336	16	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6a](N[6a]C[6a])2(NC[6]C){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	117.7150	0.361	2	117.7150	0.130	2	117.3140	0.336	16	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6a](N[6a]C[6a])2(NC[6]C){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	117.5910	0.099	2	117.5910	0.010	2	117.3140	0.336	16	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6a](N[6a]C[6a])2(NC[6]C){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	117.2315	0.384	2	117.1704	0.299	8	117.3140	0.336	16	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6a](N[6a]C[6a])2(NC[6]C){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	117.2420	0.379	2	117.1704	0.299	8	117.3140	0.336	16	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6a](N[6a]C[6a])2(NC[6]C){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	117.1040	0.768	4	117.1704	0.299	8	117.3140	0.336	16	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6a])2(NC[6]2)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(C[6]C[6]2H)2	C[6a](N[6a]C[6a])2(NC[6]2){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)2	118.0740	0.000	1	118.0740	0.000	1	118.2535	0.064	2	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[6a])2(NC[6]2)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(C[6]C[6]2H)2	C[6a](N[6a]C[6a])2(NC[6]2){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)2	118.4330	0.000	1	118.4330	0.000	1	118.2535	0.064	2	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](N[6a]C[6a])2(NCS)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SCOO)(CH3)	C[6a](N[6a]C[6a])2(NCS){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	N(C[6a]N[6a]2)(SCOO)(CH3)	115.9257	0.375	3	115.5337	0.708	4	116.3680	1.618	8	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](N[6a]C[6a])2(NCS)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SCOO)(CH3)	C[6a](N[6a]C[6a])2(NCS){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){4|C<3>}	N(C[6a]N[6a]2)(SCOO)(CH3)	114.3580	0.000	1	115.5337	0.708	4	116.3680	1.618	8	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](N[6a]C[6a])2(NCS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SCOO)(CH3)	C[6a](N[6a]C[6a])2(NCS){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]N[6a]2)(SCOO)(CH3)	116.7070	0.588	3	117.2022	1.211	4	116.3680	1.618	8	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](N[6a]C[6a])2(NCS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SCOO)(CH3)	C[6a](N[6a]C[6a])2(NCS){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(SCOO)(CH3)	118.6880	0.000	1	117.2022	1.211	4	116.3680	1.618	8	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:4:	N[6a]-2:O[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(O[6a]C[6a])(NCC)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]O[6a]N)	N(C[6a]N[6a]O[6a])(CCHH)2	C[6a](N[6a]C[5a,6a])(O[6a]C[6a])(NCC){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]O[6a]N){3|C<3>}	N(C[6a]N[6a]O[6a])(CCHH)2	122.8250	0.000	1	122.8250	0.000	1	122.8250	0.000	1	117.2478	1.043	218	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:2:3:	3:3:	4:3:4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C-4:	C[6a](N[6a]C[6a])2(NC[5]C)	N[6a](C[6a]N[6a]N)2	N(C[5]C[5]O[5]H)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(NC[5]C){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[5]C[5]O[5]H)(C[6a]N[6a]2)(CH3)	116.7655	1.081	2	116.7655	1.169	2	116.7655	1.169	2	116.7655	1.169	2	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NHH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]N){1|C<3>,1|H<1>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	115.7220	0.000	1	115.7220	0.000	1	115.7220	0.000	1	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<2>,1|N<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.4780	0.045	2	117.4780	0.002	2	117.5022	1.208	6	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH){1|C<2>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N){1|N<2>,2|C<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	118.5550	0.000	1	118.5550	0.000	1	117.5022	1.208	6	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.2990	0.000	1	116.2990	0.000	1	117.5022	1.208	6	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH){1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){2|N<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.2860	0.000	1	116.2860	0.000	1	117.5022	1.208	6	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH){1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,3|N<2>}	N(C[6a]C[6a]N[6a])(H)2	118.9170	0.000	1	118.9170	0.000	1	117.5022	1.208	6	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH){3|C<3>}	N[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.1395	0.272	2	117.1395	0.074	2	117.0464	0.182	11	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH){3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.9720	0.000	1	116.9720	0.000	1	117.0464	0.182	11	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N){1|C<2>,1|C<4>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.0315	0.436	2	117.0315	0.190	2	117.0464	0.182	11	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N){1|B<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.0327	0.553	6	117.0327	0.306	6	117.0464	0.182	11	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:Cl-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NClH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NClH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(Cl)(H)	114.5590	0.000	1	114.5590	0.000	1	114.5590	0.000	1	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.4910	0.000	1	117.4910	0.000	1	117.7494	0.781	16	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N){5|C<3>}	N(C[6a]C[6a]N[6a])(H)2	115.1970	0.000	1	115.1970	0.000	1	117.7494	0.781	16	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	118.6580	0.000	1	117.8720	1.236	2	117.7494	0.781	16	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<2>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.0860	0.000	1	117.8720	1.236	2	117.7494	0.781	16	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.4320	0.000	1	117.4320	0.000	1	117.7494	0.781	16	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.9505	0.386	6	118.0154	0.154	7	117.7494	0.781	16	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	118.4050	0.000	1	118.0154	0.154	7	117.7494	0.781	16	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	118.2910	0.741	3	118.0048	0.694	4	117.7494	0.781	16	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.1460	0.000	1	118.0048	0.694	4	117.7494	0.781	16	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NHH)	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,1|N<3>,2|N<2>}	N(C[6a]C[6a]N[6a])(H)2	115.4880	1.994	2	115.4880	3.976	2	115.4880	3.976	2	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NOO)	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(O)2	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NOO){1|C<3>,1|N<2>,1|N<3>}	N[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,1|N<3>,2|N<2>}	N(C[6a]C[6a]N[6a])(O)2	109.6070	0.611	3	109.6070	0.373	3	109.6070	0.373	3	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)2	119.8735	0.551	28	119.9414	0.288	51	119.9414	0.288	51	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]N[6a]2)(H)2	119.9965	0.300	11	119.9414	0.288	51	119.9414	0.288	51	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)2	119.9242	0.720	9	119.9414	0.288	51	119.9414	0.288	51	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)2	120.4250	0.365	3	119.9414	0.288	51	119.9414	0.288	51	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	119.7575	0.971	25	119.8159	0.899	28	119.8159	0.899	28	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	119.7750	0.000	1	119.8159	0.899	28	119.8159	0.899	28	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(H)2	120.5655	0.646	2	119.8159	0.899	28	119.8159	0.899	28	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N(C[6a]N[6a]2)(H)2	120.3160	0.000	1	119.6323	0.903	3	119.6323	0.903	3	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]N[6a]2)(H)2	120.0340	0.000	1	119.6323	0.903	3	119.6323	0.903	3	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(H)2	118.5470	0.000	1	119.6323	0.903	3	119.6323	0.903	3	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,4|C<3>}	N(C[6a]N[6a]2)(H)2	119.9940	0.000	1	119.9940	0.000	1	119.9940	0.000	1	118.8402	4.327	123	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:2:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC)(H)	116.3170	0.891	7	116.3170	0.794	7	116.3170	0.794	7	116.3170	0.794	7	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N){1|C<3>,2|C<4>,3|H<1>}	N(C[6a]C[6a]N[6a])(CNN)(H)	118.9620	0.000	1	118.9620	0.000	1	114.5892	9.395	10	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N){1|B<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	114.1745	2.999	8	114.1745	8.992	8	114.5892	9.395	10	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	113.5340	0.000	1	113.5340	0.000	1	114.5892	9.395	10	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	113.2770	0.000	1	113.2770	0.000	1	115.0055	7.052	28	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	118.3350	0.000	1	118.3350	0.000	1	115.0055	7.052	28	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	114.6850	0.000	1	113.6317	1.259	4	115.0055	7.052	28	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	114.4500	0.000	1	113.6317	1.259	4	115.0055	7.052	28	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	112.6960	0.498	2	113.6317	1.259	4	115.0055	7.052	28	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CNO)(H)	119.5426	0.436	5	119.5426	0.190	5	115.0055	7.052	28	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	113.5379	0.535	10	113.5379	0.287	10	115.0055	7.052	28	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	114.5760	0.349	2	114.5760	0.122	2	115.0055	7.052	28	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	113.1415	0.948	2	113.1415	0.899	2	115.0055	7.052	28	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	112.9735	0.182	2	112.9735	0.033	2	115.0055	7.052	28	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CNO)(H)	119.5410	0.000	1	119.5410	0.000	1	115.0055	7.052	28	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NC[6a]H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.0520	0.000	1	119.0520	0.000	1	119.3106	13.309	20	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.6920	0.000	1	120.4970	0.524	4	119.3106	13.309	20	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.4500	0.332	2	120.4970	0.524	4	119.3106	13.309	20	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.3960	0.000	1	120.4970	0.524	4	119.3106	13.309	20	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.5340	0.000	1	121.5340	0.000	1	119.3106	13.309	20	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])2(H)	116.7997	4.119	6	116.7997	16.969	6	119.3106	13.309	20	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])2(H)	111.0840	0.000	1	111.0840	0.000	1	119.3106	13.309	20	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NC[6a]H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	122.4288	0.417	5	122.4288	0.174	5	119.3106	13.309	20	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NC[6a]H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.8055	0.708	2	119.8055	0.501	2	119.3106	13.309	20	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(NHH)(H)	118.9030	0.000	1	118.9030	0.000	1	121.7173	7.913	3	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]N[6a])(NC[6a]H)(H)	124.5290	0.000	1	124.5290	0.000	1	121.7173	7.913	3	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]N[6a])(NHH)(H)	121.7200	0.000	1	121.7200	0.000	1	121.7173	7.913	3	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(CCO)(H)	117.3350	0.034	2	118.0433	2.958	6	118.0433	2.958	6	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(CCO)(H)	118.3975	2.104	4	118.0433	2.958	6	118.0433	2.958	6	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	121.1340	0.000	2	121.1340	0.000	2	121.4338	0.120	4	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	121.7360	0.000	1	121.7335	0.000	2	121.4338	0.120	4	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<3>,2|C<3>,2|N<2>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	121.7310	0.000	1	121.7335	0.000	2	121.4338	0.120	4	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N(C[6a]N[6a]2)(CCO)(H)	116.8070	0.098	2	116.8070	0.010	2	116.8070	0.010	2	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(CCO)(H)	117.3765	0.094	2	117.3765	0.009	2	117.3765	0.009	2	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NC[6a]H){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	121.2955	0.185	2	121.2955	0.034	2	121.6141	1.147	7	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	121.2875	0.901	4	121.2875	0.813	4	121.6141	1.147	7	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NC[6a]H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	123.5580	0.000	1	123.5580	0.000	1	121.6141	1.147	7	117.4521	13.908	82	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	116.6165	0.317	2	116.6165	0.101	2	116.6165	0.101	2	117.2667	1.319	3	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCC)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(COO)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(COO)2	118.5670	0.000	1	118.5670	0.000	1	118.5670	0.000	1	117.2667	1.319	3	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(NC[6a]S)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(NC[6a]S){5|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N){1|N<3>,4|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	115.5570	0.000	1	115.5570	0.000	1	115.5570	0.000	1	115.5570	0.000	1	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(NCH)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(NCH){1|C<4>,2|C<3>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	118.2450	0.000	1	118.2450	0.000	1	117.1615	2.348	2	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]N)(NCH)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]N)(NCH){3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N){1|N<3>,4|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	116.0780	0.000	1	116.0780	0.000	1	117.1615	2.348	2	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NCH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){1|C<2>,1|N<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	118.0670	0.000	1	118.0670	0.000	1	118.0670	0.000	1	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]N)(NCH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	116.9710	0.000	1	116.9710	0.000	1	116.9710	0.000	1	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC3)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NCH){1|Cl<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(CC3)(H)	120.1370	0.000	1	120.1370	0.000	1	119.0720	0.974	3	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	118.5395	0.497	2	118.5395	0.247	2	119.0720	0.974	3	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(NCH){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|S<2>,4|C<3>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	118.2450	0.000	1	118.2450	0.000	1	118.2450	0.000	1	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N){1|S<2>,4|C<3>}	N(C[6a]N[6a]2)(CC3)(H)	119.8710	0.000	1	119.8710	0.000	1	119.5874	0.310	9	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N){1|O<2>,4|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	119.1260	0.000	1	119.1260	0.000	1	119.5874	0.310	9	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|C<2>,1|N<2>,1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	120.3370	0.000	1	120.3370	0.000	1	119.5874	0.310	9	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,2|C<3>,2|N<2>}	N(C[6a]N[6a]2)(CCHH)(H)	118.9980	0.000	1	118.9980	0.000	1	119.5874	0.310	9	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,1|S<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N){4|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	119.8760	0.530	3	119.8760	0.281	3	119.5874	0.310	9	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[3]HH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,1|S<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N){4|C<3>}	N(C[6a]N[6a]2)(CC[3]HH)(H)	119.1635	0.326	2	119.1635	0.106	2	119.5874	0.310	9	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H){1|O<1>,1|S<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N){4|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	119.5840	0.000	1	119.5840	0.000	1	119.5840	0.000	1	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]N){5|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	120.4510	0.000	1	120.4510	0.000	1	120.0018	1.210	4	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC3)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CC3)(H)	120.9330	0.000	1	120.9330	0.000	1	120.0018	1.210	4	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCCH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CCCH)(H)	118.4150	0.000	1	118.4150	0.000	1	120.0018	1.210	4	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|C<3>,1|N<2>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	120.2080	0.000	1	120.2080	0.000	1	120.0018	1.210	4	119.1227	1.422	22	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:4:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)2	116.9970	0.000	1	116.9970	0.000	1	117.3220	0.387	3	119.3212	2.382	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:4:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CH3)2	117.4845	0.784	2	117.4845	0.615	2	117.3220	0.387	3	119.3212	2.382	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCCH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N){1|O<2>,4|C<3>}	N(C[6a]N[6a]2)(CCCH)2	120.8915	0.122	2	120.8915	0.015	2	120.3550	0.499	4	119.3212	2.382	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N){1|O<2>,4|C<3>}	N(C[6a]N[6a]2)(CCHH)2	120.2260	0.000	1	120.2260	0.000	1	120.3550	0.499	4	119.3212	2.382	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|N<3>,1|O<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,4|C<3>}	N(C[6a]N[6a]2)(CCHH)2	119.4110	0.000	1	119.4110	0.000	1	120.3550	0.499	4	119.3212	2.382	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]2)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(C[6]C[6]2H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]2){1|O<1>,1|S<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N){4|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)2	120.9020	0.000	1	120.9020	0.000	1	120.9020	0.000	1	119.3212	2.382	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(NCC){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N(C[6a]N[6a]2)(CCHH)2	119.8860	0.000	1	119.8860	0.000	1	119.8860	0.000	1	119.3212	2.382	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,4|C<3>}	N(C[6a]N[6a]2)(CCHH)2	119.0380	0.000	1	119.0380	0.000	1	119.0380	0.000	1	119.3212	2.382	10	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	2:3:3:	3:3:	4:3:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[5]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[5]C[5]O[5]H)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[5]H){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[5]C[5]O[5]H)(C[6a]N[6a]2)(H)	120.3400	0.884	2	120.3400	0.781	2	120.3400	0.781	2	120.3400	0.781	2	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:2:	3:3:	3:3:3:	N-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](NC[6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](NC[6a]C[5])(N[6a]C[6a])2{1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]2)	116.0750	1.212	2	116.0750	1.469	2	116.0750	1.469	2	116.0750	1.469	2	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	2:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]N[6a])(NHH){1|B<4>,3|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N){1|N<3>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	115.4950	0.000	1	115.4950	0.000	1	115.4950	0.000	1	114.5895	0.454	4	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	2:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO){1|C<3>,1|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]N[6a])(O)2	113.8680	0.000	1	114.2877	0.135	3	114.2877	0.135	3	114.5895	0.454	4	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	2:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO){1|C<3>,1|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]N){1|C<3>,2|N<3>}	N(C[6a]C[6a]N[6a])(O)2	114.4975	0.074	2	114.2877	0.135	3	114.2877	0.135	3	114.5895	0.454	4	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(NHH){1|H<1>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(N[6a]N[6a]){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	117.2510	0.385	2	117.2510	0.148	2	117.2510	0.148	2	117.4383	0.179	3	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	117.8130	0.000	1	117.8130	0.000	1	117.8130	0.000	1	117.4383	0.179	3	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC)(H)	115.4270	0.354	5	115.4270	0.125	5	115.9264	1.343	7	115.9264	1.343	7	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:2:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC[5])(H)	117.1750	1.786	2	117.1750	3.190	2	115.9264	1.343	7	115.9264	1.343	7	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCH)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	111.8720	0.000	1	111.8720	0.000	1	111.8720	0.000	1	117.3415	10.627	6	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	117.5897	2.436	3	118.4354	4.309	5	118.4354	4.309	5	117.3415	10.627	6	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.7040	0.074	2	118.4354	4.309	5	118.4354	4.309	5	117.3415	10.627	6	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:2:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCC)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(CH3)2	116.7160	0.000	1	116.7160	0.000	1	116.7160	0.000	1	116.7160	0.000	1	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NHH){1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N){1|H<1>,4|C<3>}	N(C[6a]C[5,6a]N[6a])(H)2	119.1380	0.000	1	119.1380	0.000	1	119.1380	0.000	1	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]O)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]O){3|C<3>}	N(C[6a]C[5,6a]N[6a])(H)2	117.8300	0.000	1	117.8300	0.000	1	118.2631	1.768	16	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]C[5,6a]N[6a])(H)2	117.1140	0.000	1	117.1140	0.000	1	118.2631	1.768	16	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	N(C[6a]C[5,6a]N[6a])(H)2	119.1970	0.000	1	119.1970	0.000	1	118.2631	1.768	16	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5,6a]N)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5,6a]N){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]C[5,6a]N[6a])(H)2	117.5710	0.000	1	117.5710	0.000	1	118.2631	1.768	16	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5,6a]N[6a])(H)2	118.3600	0.000	1	118.3750	2.351	11	118.2631	1.768	16	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5,6a]N[6a])(H)2	119.5122	0.604	5	118.3750	2.351	11	118.2631	1.768	16	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Ir<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5,6a]N[6a])(H)2	119.0690	0.000	1	118.3750	2.351	11	118.2631	1.768	16	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Os<9>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5,6a]N[6a])(H)2	117.5650	0.000	1	118.3750	2.351	11	118.2631	1.768	16	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5,6a]N[6a])(H)2	116.1900	1.870	2	118.3750	2.351	11	118.2631	1.768	16	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5,6a]N[6a])(H)2	117.1900	0.000	1	118.3750	2.351	11	118.2631	1.768	16	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Co<6>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]C[5,6a]N[6a])(H)2	118.3720	0.000	1	118.3720	0.000	1	118.2631	1.768	16	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHH){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	119.1730	0.000	1	119.1730	0.000	1	119.1730	0.000	1	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]F)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]F){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	117.0840	0.000	1	117.0840	0.000	1	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Br<1>,1|H<1>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	119.5660	0.000	1	118.2099	1.051	21	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<4>,2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	115.9280	0.000	1	118.2099	1.051	21	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.1490	0.000	1	118.2099	1.051	21	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|H<1>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	119.0540	0.000	1	118.2099	1.051	21	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	117.0880	0.000	1	118.2099	1.051	21	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.1147	0.828	3	118.2099	1.051	21	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|I<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.0443	0.388	3	118.2099	1.051	21	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	116.6690	0.000	1	118.2099	1.051	21	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	119.2140	0.000	1	118.2099	1.051	21	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	119.9120	0.000	1	118.2099	1.051	21	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	117.1220	0.000	1	118.2099	1.051	21	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|H<1>,1|I<1>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.8740	0.000	1	118.2099	1.051	21	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.4710	0.702	5	118.2099	1.051	21	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Br<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	119.5870	0.000	1	119.2885	0.178	2	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.9900	0.000	1	119.2885	0.178	2	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.9280	0.000	1	118.9280	0.000	1	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]S)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]S){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	117.7590	0.000	1	117.7590	0.000	1	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	116.5460	0.000	1	116.5460	0.000	1	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.0660	0.000	1	118.0660	0.000	1	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]D)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|D<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]D){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.1170	0.000	1	118.1170	0.000	1	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	117.8690	0.000	1	118.7728	0.578	105	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.0610	0.380	2	118.7728	0.578	105	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.7939	0.772	97	118.7728	0.578	105	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.7850	0.000	1	118.7728	0.578	105	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.9365	0.155	2	118.7728	0.578	105	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<4>,1|H<1>,3|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	119.3570	0.000	1	118.7728	0.578	105	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|H<1>,2|C<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.1290	0.000	1	118.7728	0.578	105	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.5881	0.385	14	118.5681	0.144	15	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|Rh<5>,1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.2870	0.000	1	118.5681	0.144	15	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.3540	0.000	1	120.2062	1.186	6	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(H)2	119.8900	0.000	1	120.2062	1.186	6	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(H)2	120.7482	0.639	4	120.2062	1.186	6	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	118.6690	0.000	1	118.6690	0.000	1	118.6990	0.764	156	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)	N(C[6a]C[6,6a]N[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){2|N<3>,3|C<3>}	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N){1|C<2>,2|C<3>}	N(C[6a]C[6,6a]N[6a])(H)2	113.7800	0.000	1	113.7800	0.000	1	113.5783	0.146	3	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)	N(C[6a]C[6,6a]N[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O){1|C<2>,2|C<3>}	N(C[6a]C[6,6a]N[6a])(H)2	113.8180	0.000	1	113.8180	0.000	1	113.5783	0.146	3	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]S)	N(C[6a]C[6,6a]N[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]S){1|C<2>,2|C<3>}	N(C[6a]C[6,6a]N[6a])(H)2	113.1370	0.000	1	113.1370	0.000	1	113.5783	0.146	3	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]N){2|C<3>,2|C<4>}	N(C[6a]C[6a,6a]N[6a])(H)2	115.9890	0.000	1	116.0440	0.006	2	115.9500	0.030	3	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]N){2|C<3>,2|C<4>}	N(C[6a]C[6a,6a]N[6a])(H)2	116.0990	0.000	1	116.0440	0.006	2	115.9500	0.030	3	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH)	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]N){2|C<3>,2|C<4>}	N(C[6a]C[6a,6a]N[6a])(H)2	115.7620	0.000	1	115.7620	0.000	1	115.9500	0.030	3	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(NHH)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(NHH){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]N){1|C<2>,2|C<3>,2|N<2>}	N(C[6a]C[6a,6a]N[6a])(H)2	117.4340	0.000	1	117.4340	0.000	1	117.4340	0.000	1	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	117.7940	0.868	2	117.7940	0.754	2	117.7940	0.754	2	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)2	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)2{3|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	117.7960	0.089	2	117.7960	0.008	2	116.8079	2.225	26	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	116.4370	0.000	1	116.4370	0.000	1	116.8079	2.225	26	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[5])	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[5]){1|C<2>,2|C<3>,2|C<4>}	N(C[6a]C[6a,6a]N[6a])(H)2	114.9198	0.323	4	114.9198	0.104	4	116.8079	2.225	26	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6])	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6]){1|C<2>,2|C<3>,2|C<4>}	N(C[6a]C[6a,6a]N[6a])(H)2	115.2680	0.885	2	115.2680	0.784	2	116.8079	2.225	26	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl){2|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	117.4810	0.000	1	117.4810	0.000	1	116.8079	2.225	26	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	115.5033	0.849	3	115.5033	0.720	3	116.8079	2.225	26	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	116.5650	0.000	1	116.5650	0.000	1	116.8079	2.225	26	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|F<1>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S){2|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	116.7090	0.000	1	116.7090	0.000	1	116.8079	2.225	26	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|F<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	116.9840	0.775	2	117.1340	0.225	6	116.8079	2.225	26	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	116.9560	0.206	2	117.1340	0.225	6	116.8079	2.225	26	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	117.4620	0.397	2	117.1340	0.225	6	116.8079	2.225	26	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[6a,6a]N[6a])(H)2	118.4755	0.728	2	118.4755	0.529	2	116.8079	2.225	26	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[6a,6a]N[6a])(H)2	119.2470	0.576	3	119.2470	0.332	3	116.8079	2.225	26	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[5a,6a])(NHH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[5a]N[6a])(N[6a]C[5a,6a])(NHH){2|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,3|N<2>}	N(C[6a]C[6a]N[6a])(H)2	119.3140	0.000	1	119.3140	0.000	1	118.8870	0.611	3	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N){2|N<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.9850	0.000	1	117.9850	0.000	1	118.8870	0.611	3	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH){1|N<3>,3|N<2>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N){1|C<3>,3|N<2>}	N(C[6a]C[6a]N[6a])(H)2	119.3620	0.000	1	119.3620	0.000	1	118.8870	0.611	3	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6,6a])(NHH)	N[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6,6a]C)(N[6a]C[6,6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]N){1|C<2>,1|N<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.5360	0.000	1	116.5360	0.000	1	117.4420	0.361	9	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(NHH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(NHH){1|N<3>,3|C<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.5553	0.530	8	117.5553	0.281	8	117.4420	0.361	9	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	114.4010	0.000	1	114.4010	0.000	1	116.0027	2.042	3	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|N<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.8035	0.486	2	116.8035	0.236	2	116.0027	2.042	3	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:D-1:D-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NDD)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(D)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NDD){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(D)2	117.5010	0.000	1	117.5010	0.000	1	117.5010	0.000	1	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(NHH){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	117.6480	0.000	1	117.6480	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.2650	0.000	1	116.2650	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.5872	0.871	5	116.5872	0.759	5	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){1|N<2>,1|O<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	115.4360	0.000	1	115.4360	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.7510	0.000	1	116.7510	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.7480	0.000	1	116.7480	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	118.0137	0.245	3	118.0137	0.060	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|N<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.9530	0.000	1	116.2866	0.386	13	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.0150	0.267	2	116.2866	0.386	13	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	115.9145	0.559	2	116.2866	0.386	13	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){5|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.2980	0.000	1	116.2866	0.386	13	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.0960	0.000	1	116.2866	0.386	13	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.5158	0.405	5	116.2866	0.386	13	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	114.9410	0.000	1	116.2866	0.386	13	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.8170	0.000	1	116.4802	0.251	5	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|C<2>}	N(C[6a]C[6a]N[6a])(H)2	115.6170	0.000	1	116.4802	0.251	5	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	116.5250	0.000	1	116.4802	0.251	5	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|S<2>}	N(C[6a]C[6a]N[6a])(H)2	116.7210	0.168	2	116.4802	0.251	5	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N){1|Fe<10>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	115.9610	0.130	3	115.9610	0.017	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	114.8965	0.555	4	115.8287	1.057	9	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	116.3480	0.000	1	115.8287	1.057	9	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	115.9760	0.000	1	115.8287	1.057	9	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	116.1980	0.000	1	115.8287	1.057	9	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.1750	0.035	2	115.8287	1.057	9	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|C<3>,2|C<2>}	N(C[6a]C[6a]N[6a])(H)2	116.2250	0.000	1	116.2250	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	116.4895	1.014	4	116.4895	1.027	4	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<2>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.3490	0.000	1	116.3490	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	116.5002	0.268	4	116.2170	0.455	5	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	115.0840	0.000	1	116.2170	0.455	5	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	117.7975	0.294	6	117.3387	1.545	7	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	114.5860	0.000	1	117.3387	1.545	7	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	115.6430	0.000	1	114.7360	1.645	2	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<4>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	113.8290	0.000	1	114.7360	1.645	2	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|C<2>}	N(C[6a]C[6a]N[6a])(H)2	117.5830	0.000	1	116.8903	0.390	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|C<2>}	N(C[6a]C[6a]N[6a])(H)2	116.5440	0.247	2	116.8903	0.390	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N){1|C<3>,2|C<2>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	116.3575	0.176	2	116.3575	0.031	2	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.3190	0.000	1	117.3190	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|Se<2>,2|C<3>}	N[6a](C[6a]C[6a]Se)(C[6a]C[6a]N){1|C<3>,2|C<2>}	N(C[6a]C[6a]N[6a])(H)2	116.2570	0.000	1	116.2570	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.6150	0.000	1	116.6150	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.6260	0.000	1	117.6260	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	117.3100	0.000	1	117.3100	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|N<2>,2|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.9957	0.475	10	117.9957	0.226	10	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)2{2|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.9830	0.000	1	117.4147	0.392	6	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{2|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.3010	0.627	5	117.4147	0.392	6	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|F<1>}	N(C[6a]C[6a]N[6a])(H)2	119.4200	0.000	1	118.8577	0.252	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|N<3>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|F<1>}	N(C[6a]C[6a]N[6a])(H)2	118.4550	0.000	1	118.8577	0.252	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|F<1>}	N(C[6a]C[6a]N[6a])(H)2	118.6980	0.000	1	118.8577	0.252	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]N[6a])(H)2	119.5563	0.932	7	119.5051	0.360	52	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	119.4972	0.547	45	119.5051	0.360	52	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	116.7495	0.320	2	116.5103	0.223	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	116.0320	0.000	1	116.5103	0.223	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	116.8610	0.000	1	116.8610	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	116.8260	0.000	2	116.8260	0.000	2	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	119.3885	1.105	2	117.5709	2.197	34	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]N[6a])(H)2	116.9385	0.315	2	117.5709	2.197	34	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	115.8565	0.258	2	117.5709	2.197	34	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	116.9630	1.174	3	117.5709	2.197	34	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	117.2850	0.000	1	117.5709	2.197	34	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	116.8224	0.681	5	117.5709	2.197	34	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|S<1>}	N(C[6a]C[6a]N[6a])(H)2	117.0110	0.000	1	117.5709	2.197	34	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	118.4080	2.104	10	117.5709	2.197	34	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	117.6490	0.592	5	117.5709	2.197	34	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.1630	0.242	2	117.5709	2.197	34	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	117.0970	0.000	1	117.5709	2.197	34	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.0995	0.366	2	117.0710	0.069	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.0140	0.000	1	117.0710	0.069	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	115.1770	0.000	1	116.5235	3.626	2	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.8700	0.000	1	116.5235	3.626	2	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	117.3540	0.583	2	116.1788	1.461	22	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	117.2499	0.611	8	116.1788	1.461	22	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	115.2688	0.729	12	116.1788	1.461	22	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	118.4390	0.000	1	117.9839	0.470	82	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	117.4440	0.000	1	117.9839	0.470	82	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	118.1417	0.695	45	117.9839	0.470	82	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	117.8146	0.626	32	117.9839	0.470	82	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.8725	0.520	2	117.9839	0.470	82	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	116.6060	0.000	1	117.9839	0.470	82	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	115.5932	0.813	31	115.5716	0.670	35	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	116.8190	0.000	1	115.5716	0.670	35	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	114.9705	0.390	2	115.5716	0.670	35	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	114.8550	0.000	1	115.5716	0.670	35	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	117.2907	0.435	3	116.2083	0.695	12	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	115.8474	0.568	9	116.2083	0.695	12	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.3180	0.000	1	116.3180	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	116.7150	0.000	1	117.1325	0.349	2	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	117.5500	0.000	1	117.1325	0.349	2	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.7430	1.874	4	116.7430	3.511	4	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	116.1274	1.031	5	116.1055	0.853	6	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	115.9960	0.000	1	116.1055	0.853	6	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	116.5150	0.000	1	117.6535	2.592	2	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	118.7920	0.000	1	117.6535	2.592	2	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	118.1340	0.000	1	117.4946	0.972	18	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	117.7797	0.448	15	117.4946	0.972	18	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	115.0365	0.062	2	117.4946	0.972	18	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	115.0515	0.033	2	116.3808	3.243	4	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	116.5570	0.000	1	116.3808	3.243	4	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	118.8630	0.000	1	116.3808	3.243	4	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	116.8210	0.000	1	116.6936	0.201	5	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	116.9955	0.385	2	116.6936	0.201	5	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	116.3280	0.437	2	116.6936	0.201	5	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	117.0287	0.438	3	117.0287	0.192	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	114.9580	0.256	2	115.1170	0.109	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	115.4350	0.000	1	115.1170	0.109	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]N){1|C<3>,1|N<2>,3|C<4>}	N(C[6a]C[6a]N[6a])(H)2	117.2840	0.000	1	117.2840	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N){1|C<3>,1|N<2>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	118.2095	0.998	2	117.3792	0.936	5	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	116.6350	0.484	2	117.3792	0.936	5	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N){1|C<3>,1|N<2>,3|C<4>}	N(C[6a]C[6a]N[6a])(H)2	117.2070	0.000	1	117.3792	0.936	5	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	118.4998	0.444	9	118.4486	0.201	10	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	117.9880	0.000	1	118.4486	0.201	10	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a]N[6a])(H)2	119.4860	0.000	1	118.7733	0.290	4	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(H)2	118.7145	0.042	2	118.7733	0.290	4	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	118.1780	0.000	1	118.7733	0.290	4	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	118.9152	0.150	5	118.9152	0.022	5	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	116.3707	0.790	3	116.3707	0.625	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){2|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<2>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	118.8470	0.047	2	118.8470	0.002	2	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	117.2037	0.186	3	117.2037	0.035	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|Cl<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	118.2260	0.000	1	118.2260	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	119.2267	0.507	3	119.2267	0.257	3	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	118.3710	0.151	2	119.2860	1.214	7	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	119.6520	1.109	5	119.2860	1.214	7	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	118.9600	0.000	1	118.9600	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|N<2>,2|N<3>}	N(C[6a]C[6a]N[6a])(H)2	117.4435	0.723	4	117.4435	0.523	4	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|O<2>}	N(C[6a]C[6a]N[6a])(H)2	120.1555	0.081	2	120.1555	0.007	2	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|S<2>}	N(C[6a]C[6a]N[6a])(H)2	117.5170	0.000	1	117.5170	0.000	1	117.4419	2.173	440	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(O)2	113.0100	0.000	1	113.0100	0.000	1	114.2552	0.618	13	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NOO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|Cl<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a]N[6a])(O)2	113.4980	0.000	1	113.4980	0.000	1	114.2552	0.618	13	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NOO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(O)2	114.6020	0.000	1	114.6020	0.000	1	114.2552	0.618	13	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(NOO){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(O)2	114.3170	0.000	1	114.3170	0.000	1	114.2552	0.618	13	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(O)2	113.5730	0.000	1	113.5730	0.000	1	114.2552	0.618	13	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|Cl<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a]N[6a])(O)2	114.3030	0.000	1	114.3030	0.000	1	114.2552	0.618	13	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|N<2>,2|N<3>}	N(C[6a]C[6a]N[6a])(O)2	114.5734	0.816	7	114.5734	0.666	7	114.2552	0.618	13	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]N)	N(C[6a]N[5a,6a]N[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NHH){2|C<3>,2|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]N){1|N<2>,1|N<3>,2|C<3>}	N(C[6a]N[5a,6a]N[6a])(H)2	122.9940	0.000	1	122.9940	0.000	1	122.9940	0.000	1	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)	N(C[6a]N[5a,6a]N[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C){2|C<3>}	N(C[6a]N[5a,6a]N[6a])(H)2	121.9647	0.444	3	121.9647	0.197	3	122.3120	1.339	5	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]N[5a,6a]N[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]N[5a,6a]N[6a])(H)2	121.4090	0.000	1	121.4090	0.000	1	122.3120	1.339	5	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[5a,6a]N[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,3|N<2>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[5a,6a]N[6a])(H)2	124.2570	0.000	1	124.2570	0.000	1	122.3120	1.339	5	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a,6a]N)(C[6a]N[6a]C)	N(C[6a]N[6a,6a]N[6a])(H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>,2|N<2>}	N[6a](C[6a]N[6a,6a]N)(C[6a]N[6a]C){2|C<3>}	N(C[6a]N[6a,6a]N[6a])(H)2	119.7470	0.000	2	119.7470	0.000	2	119.7470	0.000	2	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]Pt)(N[6a]C[5,6a])(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]Pt)(N[6a]C[5,6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.5545	0.596	2	117.5545	0.355	2	117.5545	0.355	2	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]N[6a]2)(H)2	117.7230	0.000	1	117.7230	0.000	1	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|C<4>}	N(C[6a]N[6a]2)(H)2	118.1110	0.000	1	118.1110	0.000	1	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,3|C<3>}	N(C[6a]N[6a]2)(H)2	120.6030	0.000	1	120.6030	0.000	1	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	120.0250	0.214	2	120.5363	0.412	9	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]N[6a]2)(H)2	121.0985	0.124	4	120.5363	0.412	9	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(H)2	120.1277	0.677	3	120.5363	0.412	9	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(H)2	119.6055	0.078	2	119.6055	0.006	2	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]N[6a]2)(H)2	120.8460	0.000	1	120.5705	0.152	2	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(H)2	120.2950	0.000	1	120.5705	0.152	2	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]N[6a]2)(H)2	120.4810	0.000	1	119.6149	0.411	19	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]N[6a]2)(H)2	119.2757	0.399	3	119.6149	0.411	19	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]N[6a]2)(H)2	118.9680	0.000	1	119.6149	0.411	19	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(H)2	119.6720	0.652	14	119.6149	0.411	19	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	119.2245	1.323	2	119.6810	0.561	8	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]N[6a]2)(H)2	119.8878	0.621	4	119.6810	0.561	8	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(H)2	120.1870	0.000	1	119.6810	0.561	8	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(H)2	119.2610	0.000	1	119.6810	0.561	8	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<2>,1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	119.8477	0.314	3	119.5697	0.375	4	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)2	118.7360	0.000	1	119.5697	0.375	4	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]N[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|Br<1>,1|C<4>,1|N<2>}	N(C[6a]N[6a]2)(H)2	117.8753	0.467	3	117.8753	0.218	3	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|N<2>,2|C<4>}	N(C[6a]N[6a]2)(H)2	117.3830	0.000	1	117.3830	0.000	1	119.6282	0.934	51	117.8285	2.692	739	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:2:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	N(C[6a]C[5a,6a]N[6a])(NC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[5a,6a]N[6a])(NC)(H)	120.1230	0.000	1	120.1230	0.000	1	120.1230	0.000	1	115.4482	2.851	35	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHN){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(NC)(H)	116.0395	0.370	2	116.0395	0.137	2	115.4299	2.146	32	115.4482	2.851	35	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC)(H)	114.9550	0.000	1	115.6034	1.780	19	115.4299	2.146	32	115.4482	2.851	35	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC)(H)	114.3740	0.000	1	115.6034	1.780	19	115.4299	2.146	32	115.4482	2.851	35	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC)(H)	115.7139	1.367	17	115.6034	1.780	19	115.4299	2.146	32	115.4482	2.851	35	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC[6])(H)	114.9079	2.068	7	114.9079	4.278	7	115.4299	2.146	32	115.4482	2.851	35	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC)(H)	114.1560	0.512	2	114.1560	0.262	2	115.4299	2.146	32	115.4482	2.851	35	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC)(H)	116.2725	0.713	2	116.2725	0.509	2	115.4299	2.146	32	115.4482	2.851	35	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(OC)(H)	113.0930	0.000	1	113.4045	0.194	2	113.4045	0.194	2	115.4482	2.851	35	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(OC)(H)	113.7160	0.000	1	113.4045	0.194	2	113.4045	0.194	2	115.4482	2.851	35	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5,6a]N[6a])(CC[6a]O)(H)	114.9940	0.000	1	114.9940	0.000	1	114.9940	0.000	1	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NC[6a]H){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	120.5300	0.000	1	120.5300	0.000	1	121.9870	4.246	2	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(NC[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	123.4440	0.000	1	123.4440	0.000	1	121.9870	4.246	2	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	N(C[6a]C[5a,6a]N[6a])(NHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[5a,6a]N[6a])(NHH)(H)	120.9900	0.000	1	120.9900	0.000	1	120.9900	0.000	1	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)	N(C[6a]C[5a,6a]N[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CNO)(H)	120.3160	0.000	1	120.3160	0.000	1	116.9097	14.467	7	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	121.2385	0.183	2	116.3420	14.654	6	116.9097	14.467	7	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	113.8937	0.660	4	116.3420	14.654	6	116.9097	14.467	7	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	115.7110	0.000	1	115.7110	0.000	1	120.5635	6.183	6	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]H){1|H<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	120.4250	0.000	1	120.4250	0.000	1	120.5635	6.183	6	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	121.7595	0.443	2	121.7595	0.197	2	120.5635	6.183	6	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	121.8630	0.957	2	121.8630	0.917	2	120.5635	6.183	6	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHN)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(NHH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHN){1|N<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(NHH)(H)	115.6955	0.047	2	115.6955	0.002	2	115.6955	0.002	2	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)	N(C[6a]C[6,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N(C[6a]C[6,6a]N[6a])(C[6a]C[6a]2)(H)	117.5830	0.000	1	117.5830	0.000	1	117.2350	0.242	2	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]N[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]N[6a])(H)	116.8870	0.000	1	116.8870	0.000	1	117.2350	0.242	2	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH){1|H<1>,4|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a,6a]N){1|C<4>,4|C<3>}	N(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	122.9040	0.154	2	122.9040	0.024	2	122.9040	0.024	2	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NC[6a]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NC[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	117.6390	0.291	2	117.6390	0.085	2	117.6390	0.085	2	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NC[6a]H){1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N){1|C<4>,4|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	117.6950	0.000	1	117.6950	0.000	1	117.6950	0.000	1	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)	N(C[6a]C[6a,6a]N[6a])(CHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]N[6a])(CHO)(H)	115.9880	0.000	1	115.9880	0.000	1	115.9880	0.000	1	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C){1|P<4>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	118.6030	0.000	1	118.6030	0.000	1	119.0023	0.447	28	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	119.0405	0.678	26	119.0405	0.460	26	119.0023	0.447	28	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	118.4060	0.000	1	118.4060	0.000	1	119.0023	0.447	28	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)	N(C[6a]C[6a,6a]N[6a])(NHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHN){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]N[6a])(NHH)(H)	117.6170	0.150	2	117.6170	0.022	2	117.6170	0.022	2	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(NHN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(NHN){2|C<3>,2|H<1>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(NHH)(H)	116.8900	0.000	1	116.8900	0.000	1	116.8900	0.000	1	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]N[6a])(H)	112.0630	0.000	1	112.0630	0.000	1	112.0630	0.000	1	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	111.8180	0.000	1	111.8180	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(CCN)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCH){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[6a]N[6a])(CCN)(H)	119.5655	0.303	2	119.5655	0.092	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH){1|N<2>,2|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	116.1370	0.000	1	116.1370	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,4|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	118.5830	0.000	1	118.5830	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CCH)(H)	114.7020	0.000	1	114.7020	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	110.6015	0.258	2	110.6015	0.067	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNS)(H)	114.0070	1.160	2	114.0070	1.345	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NCH){1|C<3>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	116.1830	0.000	1	116.1830	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CHO)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CHO)(H)	117.3250	0.000	1	117.3250	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	112.7720	0.894	6	112.7720	0.799	6	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	113.0117	0.650	3	113.0117	0.422	3	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CNO)(H)	114.1180	0.000	1	114.1180	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCC)(H)	116.7560	0.000	1	116.7560	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	113.4880	0.710	2	112.5790	0.496	23	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	112.5525	0.647	19	112.5790	0.496	23	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	111.5070	0.000	1	112.5790	0.496	23	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	112.3370	0.000	1	112.5790	0.496	23	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[5,6]O)(H)	113.0180	0.000	1	113.0180	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	112.6970	0.000	1	112.6970	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	113.1455	0.825	12	113.2112	0.653	39	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	113.2620	0.823	26	113.2112	0.653	39	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	112.6780	0.000	1	113.2112	0.653	39	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CHN)(H)	116.3470	0.000	1	116.3470	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CNO)(H)	115.2020	5.264	2	115.2020	27.707	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CNS)(H)	116.1727	4.210	7	116.1727	17.728	7	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(COO)(H)	113.0478	0.587	8	113.0478	0.345	8	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CNO)(H)	113.8540	0.000	1	113.8540	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCC)(H)	116.6750	0.000	2	116.6750	0.000	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	113.2485	0.687	2	113.1777	0.581	53	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	113.3128	0.542	5	113.1777	0.581	53	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	113.8586	0.732	5	113.1777	0.581	53	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	112.5200	0.000	1	113.1777	0.581	53	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	113.0837	0.778	37	113.1777	0.581	53	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	114.0870	0.000	1	113.1777	0.581	53	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	112.6800	0.363	2	113.1777	0.581	53	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCS)(H)	112.0515	0.125	2	112.0515	0.016	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	112.8630	0.402	2	112.8630	0.161	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	112.5315	0.084	2	112.5315	0.007	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[5]H)(H)	112.9455	0.333	2	112.9455	0.111	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	112.7590	0.000	1	113.2134	1.837	11	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	113.2801	1.504	9	113.2134	1.837	11	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	113.0670	0.000	1	113.2134	1.837	11	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	117.0060	0.000	1	117.0010	0.178	3	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	117.4200	0.000	1	117.0010	0.178	3	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	116.5770	0.000	1	117.0010	0.178	3	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6]O)(H)	113.2921	1.717	19	113.2921	2.947	19	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]C[5])(H)	112.4945	0.931	2	112.4945	0.867	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	119.8706	0.977	7	119.8706	0.954	7	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	113.6800	0.000	1	113.1448	0.537	51	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	112.8180	0.000	1	113.1448	0.537	51	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	110.1270	0.000	1	113.1448	0.537	51	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	113.1708	0.610	45	113.1448	0.537	51	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	113.6917	0.094	3	113.1448	0.537	51	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CHN)(H)	117.5640	0.057	3	117.5640	0.003	3	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNN)(H)	118.9920	0.021	2	117.7798	6.511	11	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CNN)(H)	118.4110	0.668	8	117.7798	6.511	11	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNN)(H)	110.3060	0.000	1	117.7798	6.511	11	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CNO)(H)	119.3933	1.157	12	119.3933	1.338	12	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CNS)(H)	109.8577	0.116	4	115.4617	16.475	24	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNS)(H)	118.8490	0.000	1	115.4617	16.475	24	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CNS)(H)	116.4632	3.518	19	115.4617	16.475	24	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CN[6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CN[6]O)(H)	112.5455	0.431	2	112.5455	0.185	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(COO)(H)	112.4100	0.055	2	112.9508	0.406	5	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(COO)(H)	113.3113	0.569	3	112.9508	0.406	5	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]P)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]P){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	112.8790	0.000	1	112.8790	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	111.0230	0.389	2	111.0230	0.151	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	114.1585	0.742	2	113.4703	1.696	3	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	112.0940	0.000	1	113.4703	1.696	3	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	119.1680	0.000	1	119.1680	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	113.4703	0.500	3	113.4703	0.250	3	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNO)(H)	115.2830	0.000	1	115.2830	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	113.3440	0.000	1	112.5335	1.314	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|N<2>,1|O<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	111.7230	0.000	1	112.5335	1.314	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	113.8134	2.045	34	113.8134	4.182	34	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	112.4690	0.000	1	112.4690	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<1>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	117.3645	0.063	2	113.3324	4.546	43	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	113.1357	1.980	41	113.3324	4.546	43	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CNO)(H)	114.4205	4.931	2	114.4205	24.311	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CNS)(H)	119.2930	0.453	6	118.8955	0.689	8	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CNS)(H)	117.7030	0.054	2	118.8955	0.689	8	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(COO)(H)	112.4025	1.991	2	112.4025	3.962	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CCH)(H)	117.1912	0.583	5	117.1912	0.340	5	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(CCO)(H)	117.6462	1.726	6	117.6462	2.979	6	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	118.8430	0.218	2	118.8430	0.047	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(CNS)(H)	117.3215	0.552	2	117.3215	0.305	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(COS)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(COS)(H)	117.4105	0.852	2	117.4105	0.726	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	114.4130	0.000	1	114.4130	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	113.3590	0.000	1	113.3590	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	114.5970	0.453	2	114.5970	0.205	2	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|O<2>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	122.6500	0.000	1	122.6500	0.000	1	114.2118	6.736	444	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	118.3080	0.000	1	118.3080	0.000	1	117.7406	8.672	28	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	118.1160	0.000	1	118.1160	0.000	1	117.7406	8.672	28	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	117.7043	3.057	26	117.7043	9.346	26	117.7406	8.672	28	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.3200	0.000	1	119.3200	0.000	1	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.2910	0.000	1	118.2910	0.000	1	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.6120	0.000	1	119.6120	0.000	1	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.3355	0.635	56	118.3323	0.397	57	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.1520	0.000	1	118.3323	0.397	57	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	116.0220	0.000	1	116.0220	0.000	1	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.9280	0.000	1	119.2416	0.625	5	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.1100	0.216	2	119.2416	0.625	5	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|O<2>,2|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.5300	1.468	2	119.2416	0.625	5	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<2>,1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.9337	0.441	3	119.9337	0.194	3	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|C<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.3510	0.495	8	118.3510	0.245	8	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<2>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.2250	0.000	1	119.2447	0.648	6	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.0486	0.722	5	119.2447	0.648	6	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.9490	0.000	1	120.9490	0.000	1	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.3530	0.000	1	118.3530	0.000	1	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|F<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.8550	0.000	1	119.8550	0.000	1	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	116.1410	0.000	1	118.4500	10.663	2	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.7590	0.000	1	118.4500	10.663	2	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])2(H)	117.6397	3.635	4	117.6397	13.215	4	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(H)	111.8040	0.000	1	111.8040	0.000	1	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(H)	112.0070	0.016	2	112.0070	0.000	2	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	114.8455	0.581	4	116.2443	4.970	52	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	114.9580	0.542	2	116.2443	4.970	52	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	116.2830	2.262	44	116.2443	4.970	52	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.4760	0.344	2	116.2443	4.970	52	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(H)	116.7165	3.611	2	116.3525	8.627	26	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(H)	116.3222	2.966	24	116.3525	8.627	26	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.4260	0.851	4	119.4260	0.725	4	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.7510	0.747	2	117.7640	7.780	23	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	117.5748	2.846	21	117.7640	7.780	23	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(H)	116.0431	2.266	30	116.0431	5.135	30	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.9380	0.000	1	118.9380	0.000	1	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.9190	0.000	1	119.9190	0.000	1	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|N<3>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.2300	0.000	1	119.2300	0.000	1	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	116.1800	0.000	1	117.8439	0.695	10	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.0288	0.630	9	117.8439	0.695	10	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	117.1255	1.227	2	117.1255	1.505	2	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.2748	1.925	6	120.2748	3.705	6	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.6200	0.554	2	118.6200	0.307	2	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.0280	0.051	3	119.0280	0.003	3	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.9785	2.753	4	119.9785	7.577	4	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	N(C[6a]C[6a]N[6a])2(H)	117.5667	4.154	4	117.5667	17.258	4	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]N[6a])2(H)	113.4480	0.000	1	113.4480	0.000	1	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|O<2>}	N(C[6a]C[6a]N[6a])2(H)	122.8260	0.000	1	122.8260	0.000	1	117.4795	5.760	266	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(NHN){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(NHH)(H)	116.9705	0.906	2	116.9705	0.820	2	115.7139	2.673	10	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NHH)(H)	119.1380	0.000	1	119.1380	0.000	1	115.7139	2.673	10	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(NCH)(H)	114.9280	0.000	1	114.9507	0.054	4	115.7139	2.673	10	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NCH)(H)	114.9583	0.283	3	114.9507	0.054	4	115.7139	2.673	10	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC[6]H)(H)	114.8330	0.000	1	114.8330	0.000	1	115.7139	2.673	10	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a]2)(H)	113.4720	0.000	1	113.4720	0.000	1	115.7139	2.673	10	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NHH)(H)	115.9520	0.000	1	115.9520	0.000	1	115.7139	2.673	10	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NNO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a]O)(O)	115.6905	0.521	2	115.6905	0.272	2	115.6905	0.272	2	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(PCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PCC)(H)	114.4205	0.401	2	114.4205	0.161	2	114.4205	0.161	2	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	N[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NCH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]N)	N(C[6a]N[5a,6a]N[6a])(CNO)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NCH){2|C<3>,2|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[5a,6a]N){1|N<2>,1|N<3>,2|C<3>}	N(C[6a]N[5a,6a]N[6a])(CNO)(H)	123.5645	0.480	2	123.5645	0.231	2	123.5645	0.231	2	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CNO)(H)	117.9730	0.000	1	117.9730	0.000	1	118.0316	0.289	13	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]N[6a]2)(CCO)(H)	117.2485	0.045	2	117.2485	0.002	2	118.0316	0.289	13	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CNO)(H)	118.1941	0.469	10	118.1941	0.220	10	118.0316	0.289	13	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.3890	0.000	1	120.3890	0.000	1	118.1853	3.642	3	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)2(H)	117.0835	0.025	2	117.0835	0.001	2	118.1853	3.642	3	115.8123	9.384	829	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]N)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(NIr)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]N){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(NIr)	116.1130	0.000	1	116.1130	0.000	1	116.1130	0.000	1	115.1808	0.414	4	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:N-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(NC)	114.6620	0.000	1	114.6620	0.000	1	114.8700	0.042	3	115.1808	0.414	4	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(NC)	114.9740	0.140	2	114.9740	0.020	2	114.8700	0.042	3	115.1808	0.414	4	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(COO)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(COO)2	116.4250	1.008	2	116.4250	1.017	2	116.4250	1.017	2	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	117.8240	0.000	1	117.8240	0.000	1	117.7455	0.012	2	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NC[6a]2){4|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2){1|S<2>,4|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	117.6670	0.000	1	117.6670	0.000	1	117.7455	0.012	2	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a,6a]N[6a])(COO)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCC){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(COO)2	116.0640	0.129	2	116.0640	0.017	2	116.0640	0.017	2	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]2){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2){5|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	116.1453	0.735	3	116.1453	0.540	3	116.1453	0.540	3	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(NC[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(NC[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	119.1940	0.000	1	119.1940	0.000	1	119.1940	0.000	1	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:As-3:As-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NAs2)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(AsCl2)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NAs2){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(AsCl2)2	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,4|C<3>}	N(C[6a]C[6a]N[6a])(CCO)2	113.6730	0.000	1	113.6730	0.000	1	115.3857	6.087	7	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CCO)2	114.4620	1.076	2	114.4620	1.158	2	115.3857	6.087	7	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	N(C[6a]C[6a]N[6a])(COO)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<4>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(COO)2	114.6260	0.000	1	114.6260	0.000	1	115.3857	6.087	7	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)2	114.2260	0.000	1	114.8630	0.812	2	115.3857	6.087	7	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)2	115.5000	0.000	1	114.8630	0.812	2	115.3857	6.087	7	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(COO)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,1|O<2>}	N(C[6a]C[6a]N[6a])(COO)2	120.7510	0.000	1	120.7510	0.000	1	115.3857	6.087	7	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	114.3530	0.561	2	114.3530	0.315	2	113.4748	0.918	5	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	112.8893	0.627	3	112.8893	0.393	3	113.4748	0.918	5	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CHO)	116.0165	0.013	2	116.0165	0.000	2	115.0932	1.022	20	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(CSS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(CSS)	114.8503	1.165	10	114.8503	1.357	10	115.0932	1.022	20	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	114.5960	0.037	2	114.5960	0.001	2	115.0932	1.022	20	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	113.6260	0.000	1	115.1878	0.787	5	115.0932	1.022	20	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	115.5782	0.181	4	115.1878	0.787	5	115.0932	1.022	20	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[6a]O)	116.1970	0.000	1	116.1970	0.000	1	115.0932	1.022	20	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|Br<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	115.7535	0.452	2	115.7535	0.204	2	115.2163	1.953	46	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])2	115.6640	2.622	2	115.6640	6.875	2	115.2163	1.953	46	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a,6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a,6a]2)	115.9795	2.488	4	115.9795	6.189	4	115.2163	1.953	46	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	116.0261	1.087	16	116.0261	1.181	16	115.2163	1.953	46	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	114.3887	0.725	10	114.3887	0.526	10	115.2163	1.953	46	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	114.1435	0.215	4	114.1435	0.046	4	115.2163	1.953	46	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])3	114.3940	1.221	6	114.3940	1.490	6	115.2163	1.953	46	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	114.9780	1.670	2	114.9780	2.790	2	115.2163	1.953	46	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]P)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(PC[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]P){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(PC[6]2)	116.6015	0.115	2	116.6015	0.013	2	116.6015	0.013	2	115.2529	2.596	91	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C){1|H<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)	118.7010	0.000	1	118.7010	0.000	1	118.0768	0.185	4	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C){1|H<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CH3)	117.8687	0.136	3	117.8687	0.018	3	118.0768	0.185	4	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(CHHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(CHHO)	116.2940	0.330	2	116.2940	0.109	2	116.2940	0.109	2	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	115.3165	0.882	2	115.3165	0.778	2	114.9188	0.644	4	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)	114.5210	0.721	2	114.5210	0.520	2	114.9188	0.644	4	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CH3)	116.8830	0.000	1	116.8830	0.000	1	117.2495	0.269	2	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CC[6a]HH)	117.6160	0.000	1	117.6160	0.000	1	117.2495	0.269	2	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[3]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[3]C[6])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[3]C[3]2H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[3]C[6]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[3]C[3]2H)	114.2860	0.000	1	114.2860	0.000	1	114.2860	0.000	1	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])2(CH3)	116.5497	0.312	3	116.5497	0.097	3	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	117.0809	0.714	9	117.0809	0.509	9	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	116.5255	0.647	13	116.5255	0.419	13	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	112.4910	0.000	1	112.4910	0.000	1	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	114.5943	0.152	3	114.2146	0.478	5	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	113.0180	0.000	1	114.2146	0.478	5	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	114.2720	0.000	1	114.2146	0.478	5	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	115.3660	0.000	1	115.3660	0.000	1	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	115.8520	0.000	1	115.8520	0.000	1	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	116.4290	0.000	1	116.0612	0.518	6	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	114.9790	0.000	1	116.0612	0.518	6	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	116.2398	0.621	4	116.0612	0.518	6	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	114.9340	0.000	1	114.6200	0.682	4	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	114.5153	0.978	3	114.6200	0.682	4	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	114.0150	0.000	1	114.0150	0.000	1	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])2(CH3)	116.2160	0.604	4	116.2160	0.364	4	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|F<1>}	N(C[6a]C[6a]N[6a])2(CH3)	116.3065	0.378	2	116.3065	0.143	2	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	115.9917	1.000	16	115.9917	1.001	16	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])2(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(CCHH)	116.5930	0.000	1	116.5930	0.000	1	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	115.0230	0.851	2	115.0230	0.725	2	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(CH3)	115.4963	0.875	12	115.4963	0.766	12	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	117.5130	0.000	1	115.8275	5.682	2	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	114.1420	0.000	1	115.8275	5.682	2	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	115.8870	0.000	1	115.8870	0.000	1	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	116.4590	0.619	3	115.4781	0.335	63	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	115.4111	0.531	58	115.4781	0.335	63	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	115.9500	0.593	2	115.4781	0.335	63	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])2(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(CCHH)	115.3410	0.000	1	115.3410	0.000	1	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	115.2020	0.745	2	115.2020	0.555	2	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]N[6a])2(CH3)	116.4720	0.000	1	115.9149	0.904	139	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(CH3)	115.8851	0.936	136	115.9149	0.904	139	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])2(CH3)	117.6640	0.020	2	115.9149	0.904	139	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])2(CH3)	117.4400	0.091	3	117.4400	0.008	3	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	116.8590	0.000	1	116.8590	0.000	1	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	117.5670	0.000	1	117.5670	0.000	1	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	117.0440	0.000	1	116.8930	0.046	2	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	116.7420	0.000	1	116.8930	0.046	2	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	115.3670	0.000	1	115.2325	0.036	2	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	115.0980	0.000	1	115.2325	0.036	2	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	115.6320	0.195	2	115.6320	0.038	2	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	115.6460	0.000	1	115.6460	0.000	1	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]N[6a])2(CH3)	115.0860	0.000	1	115.0860	0.000	1	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	117.9675	0.152	2	117.9675	0.023	2	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|N<2>,2|H<1>}	N(C[6a]C[6a]N[6a])2(CH3)	116.8875	1.011	15	116.8875	1.022	15	115.8953	1.000	319	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a])(NC[6a]S)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a])(NC[6a]S){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	117.0610	0.000	1	117.0610	0.000	1	115.9960	2.268	2	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[6a]S){1|H<1>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)	114.9310	0.000	1	114.9310	0.000	1	115.9960	2.268	2	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(NC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a]C)(CH3)	114.7450	0.202	4	114.7450	0.041	4	114.7450	0.041	4	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(PC[6a]2)(CHHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2)(CHHP)	116.8060	0.000	1	116.8060	0.000	1	116.8060	0.000	1	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	119.5550	0.000	1	119.5550	0.000	1	119.5550	0.000	1	115.9275	1.142	341	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NCH){1|N<3>,1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	119.0215	0.163	2	119.0215	0.027	2	119.0215	0.027	2	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]Cl)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|Cl<1>,1|Pt<4>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<3>}	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	118.9630	0.468	2	118.9630	0.219	2	119.6697	0.496	6	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5,6a]N[6a])(CC[5]HH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5,6a]N[6a])(CC[5]HH)(H)	120.2440	0.000	1	120.2440	0.000	1	119.6697	0.496	6	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	120.2300	0.000	1	120.2300	0.000	1	119.6697	0.496	6	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5,6a]N[6a])(CH3)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|Rh<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5,6a]N[6a])(CH3)(H)	119.8090	0.762	2	119.8090	0.581	2	119.6697	0.496	6	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]O)	N(C[6a]C[5,6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NC[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]O){3|C<3>}	N(C[6a]C[5,6a]N[6a])(C[6]C[6]O[6]H)(H)	117.3970	0.000	1	117.3970	0.000	1	117.3970	0.000	1	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	118.8580	0.000	1	118.8580	0.000	1	119.3529	0.346	28	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	118.8898	0.590	5	118.8898	0.348	5	119.3529	0.346	28	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	N(C[6a]C[5a,6a]N[6a])(CH3)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CH3)(H)	118.5650	0.000	1	118.5650	0.000	1	119.3529	0.346	28	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	119.8098	0.412	4	119.8793	0.121	6	119.3529	0.346	28	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	120.0185	0.194	2	119.8793	0.121	6	119.3529	0.346	28	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(CC[6]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CC[6]HH)(H)	119.4810	0.000	1	119.8945	0.342	2	119.3529	0.346	28	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(CC[6]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CC[6]HH)(H)	120.3080	0.000	1	119.8945	0.342	2	119.3529	0.346	28	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(CC[6a]CH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]CH)(H)	118.1540	0.000	1	118.1540	0.000	1	119.3529	0.346	28	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	119.2865	0.172	6	119.2966	0.025	7	119.3529	0.346	28	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	119.3570	0.000	1	119.2966	0.025	7	119.3529	0.346	28	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(CH3)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CH3)(H)	119.7570	0.905	2	119.7570	0.819	2	119.3529	0.346	28	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	119.4220	0.000	1	119.4220	0.000	1	119.3529	0.346	28	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|S<2>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	119.3885	0.237	2	119.3885	0.056	2	119.3529	0.346	28	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	N(C[6a]C[5a,6a]N[6a])(C[3]C[3]2H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(C[3]C[3]2H)(H)	119.7345	0.074	2	119.7345	0.006	2	119.5722	0.210	4	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(C[3]C[3]2H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(C[3]C[3]2H)(H)	119.4100	0.720	2	119.4100	0.518	2	119.5722	0.210	4	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHS)	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)	N(C[6a]C[5a,6a]N[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHS){1|Cl<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(SC[6a]OO)(H)	117.7040	0.646	2	117.7040	0.418	2	117.7040	0.418	2	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)	N(C[6a]C[6,6a]N[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NCH){1|N<2>,2|N<3>,3|H<1>}	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N(C[6a]C[6,6a]N[6a])(CCHH)(H)	115.1520	0.000	1	115.1520	0.000	1	115.1520	0.000	1	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH){1|H<1>,1|O<2>,3|C<3>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N){1|C<4>,3|C<3>}	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	116.8570	0.000	1	116.8570	0.000	1	116.8570	0.000	1	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl){2|C<3>}	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	118.0360	0.000	1	118.0360	0.000	1	118.5664	1.403	8	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl){2|C<3>}	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	117.4840	0.345	2	117.4840	0.119	2	118.5664	1.403	8	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	117.5660	0.000	1	117.5660	0.000	1	118.5664	1.403	8	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a,6a]N[6a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[6a,6a]N[6a])(CH3)(H)	119.4180	0.164	2	119.4180	0.027	2	118.5664	1.403	8	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	119.5625	1.617	2	119.5625	2.615	2	118.5664	1.403	8	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[5]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a,6a]N[6a])(C[5]C[5]2Fe)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[5]H){1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[5]C[5]2Fe)(H)	117.9335	0.394	2	117.9335	0.155	2	117.9335	0.155	2	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(NCH)	N[6a](C[6a]C[6a,6a]N)(N[6a]C[6a]H)	N(C[6a]C[6a,6a]N[6a])(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(NCH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)(N[6a]C[6a]H){1|O<1>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(CC3)(H)	119.3185	0.354	2	119.3185	0.126	2	119.3185	0.126	2	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CH3)(H)	118.3220	0.000	1	118.3220	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	116.9940	0.000	1	116.9940	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	118.4797	0.396	3	118.4797	0.157	3	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	117.2300	0.000	1	117.1685	0.008	2	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|S<2>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	117.1070	0.000	1	117.1685	0.008	2	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	116.7915	0.634	2	116.7915	0.402	2	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|S<2>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	117.7725	0.600	2	117.9073	0.512	7	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<2>,1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	117.7200	0.161	2	117.9073	0.512	7	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	116.8760	0.000	1	117.9073	0.512	7	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	118.9790	0.000	1	117.9073	0.512	7	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	118.5110	0.000	1	117.9073	0.512	7	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	112.0715	0.105	2	112.0715	0.011	2	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	116.8530	0.517	3	116.8530	0.267	3	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	117.6472	0.434	6	117.6472	0.189	6	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	118.0220	0.000	1	118.0220	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<2>,1|C<3>}	N(C[6a]C[6a]N[6a])(CH3)(H)	118.2540	0.000	1	118.2540	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(CH3)(H)	117.9910	0.000	1	117.9910	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	118.0700	0.000	1	118.0700	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	116.4970	0.000	1	116.4970	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	116.8587	1.095	3	117.2705	1.928	6	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	117.6823	1.764	3	117.2705	1.928	6	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCCH)(H)	118.2430	0.000	1	118.2430	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	117.8124	1.343	10	117.8124	1.804	10	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	114.8930	0.000	1	116.1895	3.362	2	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	117.4860	0.000	1	116.1895	3.362	2	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[5a]HH)(H)	117.1020	0.000	1	117.1020	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	115.9855	1.475	4	115.9855	2.176	4	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	116.4680	0.000	1	116.6568	1.044	10	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	116.7711	1.117	8	116.6568	1.044	10	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	115.9310	0.000	1	116.6568	1.044	10	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	115.5318	0.207	5	116.2780	1.744	7	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	118.1435	0.742	2	116.2780	1.744	7	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HO)(H)	118.3330	0.000	1	118.3330	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CH3)(H)	118.4705	0.261	4	118.4705	0.068	4	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CHHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHHN)(H)	115.3770	0.000	1	116.4305	2.220	2	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CHHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CHHN)(H)	117.4840	0.000	1	116.4305	2.220	2	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CHHP)(H)	117.7190	0.000	1	117.9830	0.060	3	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHHP)(H)	118.1150	0.126	2	117.9830	0.060	3	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CHPP)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHPP)(H)	118.6100	0.000	1	118.6100	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CN[5a]HH)(H)	118.3000	0.000	1	118.3000	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CH3)(H)	114.0620	0.000	1	114.0620	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	115.2860	0.000	1	115.2860	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	116.3060	0.000	1	116.3060	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	118.2620	0.758	2	118.2620	0.575	2	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	115.1580	0.000	1	114.3315	0.584	11	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	114.2488	0.752	10	114.3315	0.584	11	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[5a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N){1|N<3>,1|O<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC[5a]HH)(H)	115.7340	0.000	1	115.7340	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	115.7520	0.000	1	115.7520	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(CCCH)(H)	116.6505	0.015	2	116.6505	0.000	2	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	115.0180	0.000	1	116.1672	0.715	4	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	116.5503	0.438	3	116.1672	0.715	4	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(CC[5a]CH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(CC[5a]CH)(H)	112.2940	0.000	1	112.2940	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(CCCH)(H)	118.9950	0.190	2	118.7720	0.906	4	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(CCCH)(H)	118.5490	1.575	2	118.7720	0.906	4	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	118.4653	0.635	7	118.4653	0.404	7	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	118.8695	0.071	2	119.3702	0.336	4	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	119.8710	0.008	2	119.3702	0.336	4	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(CH3)(H)	118.9540	0.000	1	118.9540	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	118.3970	0.000	1	118.3970	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	116.4040	0.675	2	116.4040	0.455	2	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	118.7350	0.679	2	118.4117	0.544	3	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	117.7650	0.000	1	118.4117	0.544	3	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(CHHP)(H)	119.1005	0.175	2	119.1005	0.031	2	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<2>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	119.1760	0.000	1	119.1760	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	116.8860	0.000	1	116.8860	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	120.7350	0.093	2	120.7350	0.009	2	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	119.8510	0.000	1	119.8510	0.000	1	117.1776	3.021	139	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC3)(O)	117.6780	0.240	2	117.1823	0.766	3	117.5276	0.658	5	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC3)(O)	116.1910	0.000	1	117.1823	0.766	3	117.5276	0.658	5	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CC3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC3)(O)	118.0455	0.452	2	118.0455	0.204	2	117.5276	0.658	5	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(C[3]C[3]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3]H){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[3]C[3]2H)(H)	118.6440	0.000	1	118.6440	0.000	1	118.6440	0.000	1	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[3x6]-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3x6]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[3x6]C[6,6]3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3x6]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[3x6]C[6,6]3)(H)	119.3300	0.000	1	119.3300	0.000	1	119.3300	0.000	1	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[5]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[5]C[5]N[5]H)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[5]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[5]C[5]N[5]H)(H)	116.6000	0.000	1	116.6000	0.000	1	116.6000	0.000	1	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6]H){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	118.1630	0.000	1	118.1630	0.000	1	117.4975	1.305	6	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	118.0100	0.000	1	118.0100	0.000	1	117.4975	1.305	6	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|C<2>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	118.8870	0.000	1	118.8870	0.000	1	117.4975	1.305	6	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	116.5940	0.000	1	116.5940	0.000	1	117.4975	1.305	6	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	117.5840	0.000	1	117.5840	0.000	1	117.4975	1.305	6	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S)	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]S){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	115.7470	0.000	1	115.7470	0.000	1	117.4975	1.305	6	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(PCCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PCCS)(H)	116.9890	0.000	1	116.9890	0.000	1	115.9435	3.149	23	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(PCCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PCCO)(H)	118.2200	0.772	2	118.2200	0.596	2	115.9435	3.149	23	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(PCCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PCCS)(H)	117.3710	1.062	2	117.3710	1.128	2	115.9435	3.149	23	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2O)(H)	116.7725	0.657	2	116.7725	0.432	2	115.9435	3.149	23	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(PC[6a]2S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2S)(H)	114.1875	0.605	2	114.1875	0.366	2	115.9435	3.149	23	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)	114.2720	0.414	2	114.2720	0.172	2	115.9435	3.149	23	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(PC[6a]NO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]NO)(H)	116.2270	1.253	2	116.2270	1.570	2	115.9435	3.149	23	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(PN3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PN3)(H)	114.4893	0.433	3	114.4893	0.187	3	115.9435	3.149	23	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(PNNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PNNO)(H)	116.3182	2.195	5	116.3182	4.817	5	115.9435	3.149	23	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(PSeCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PSeCC)(H)	117.3520	0.000	1	117.3520	0.000	1	115.9435	3.149	23	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(PC[6a]2Ru)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2Ru)(H)	113.2010	0.000	1	113.2010	0.000	1	115.9435	3.149	23	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P[6]-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP[6]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP[6]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(P[6]O[6]2O)(H)	117.6655	0.537	2	117.6655	0.288	2	117.6655	0.288	2	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NHS){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	113.8240	0.000	1	113.8240	0.000	1	116.1853	6.908	17	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N){1|S<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	117.4565	0.682	2	117.4565	0.466	2	116.1853	6.908	17	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	115.2580	0.000	1	113.8146	0.732	5	116.1853	6.908	17	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	113.4537	0.328	4	113.8146	0.732	5	116.1853	6.908	17	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	115.1700	0.000	1	115.1700	0.000	1	116.1853	6.908	17	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|O<2>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	120.1550	0.000	1	120.1550	0.000	1	116.1853	6.908	17	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<3>,1|O<2>,2|N<2>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	118.6470	0.000	1	118.6470	0.000	1	116.1853	6.908	17	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	114.6590	0.770	3	114.6590	0.593	3	116.1853	6.908	17	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	119.5890	0.000	1	119.5890	0.000	1	116.1853	6.908	17	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,1|O<2>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	119.9010	0.106	2	119.9010	0.011	2	116.1853	6.908	17	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	N[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)	N(C[6a]N[5a,6a]N[6a])(CC3)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCH){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]N[5a,6a]N[6a])(CC3)(H)	124.7050	0.000	1	124.7050	0.000	1	124.7050	0.000	1	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	N[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]H)	N(C[6a]N[5a,6a]N[6a])(CH3)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]N[5a,6a]N[6a])(CH3)(H)	123.9130	0.000	1	123.9130	0.000	1	123.4985	0.344	2	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	N[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[5a,6a]N[6a])(CC[6a]HH)(H)	123.0840	0.000	1	123.0840	0.000	1	123.4985	0.344	2	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCCH)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]N[6a]2)(CCCH)(H)	117.8480	0.570	4	117.8480	0.324	4	118.5468	0.824	17	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]N[6a]2)(CCHH)(H)	118.3177	0.355	9	118.3177	0.126	9	118.5468	0.824	17	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	118.6110	0.000	1	118.6110	0.000	1	118.5468	0.824	17	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<3>,2|O<1>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	N(C[6a]N[6a]2)(CCHH)(H)	119.6100	0.000	1	119.6100	0.000	1	118.5468	0.824	17	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|O<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	120.4120	0.826	2	120.4120	0.682	2	118.5468	0.824	17	117.5851	3.899	272	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:2:	C[6a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(NCC)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]N)	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(NCC){1|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]N){1|N<3>,4|C<3>}	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(CN)	115.1960	0.000	1	115.1960	0.000	1	115.1960	0.000	1	115.5245	0.401	13	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CH3)(NC)	116.2680	0.000	1	116.2680	0.000	1	115.5519	0.427	12	115.5245	0.401	13	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CH3)(NC)	115.7030	0.148	2	115.7030	0.022	2	115.5519	0.427	12	115.5245	0.401	13	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CH3)(NC)	116.0703	0.583	3	116.0703	0.340	3	115.5519	0.427	12	115.5245	0.401	13	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CH3)(NC)	115.2600	0.134	3	115.2600	0.018	3	115.5519	0.427	12	115.5245	0.401	13	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CH3)(NC)	115.9280	0.000	1	114.9860	0.689	3	115.5519	0.427	12	115.5245	0.401	13	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CH3)(NC)	114.5150	0.216	2	114.9860	0.689	3	115.5519	0.427	12	115.5245	0.401	13	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)(CHN)	114.7930	0.000	1	114.7930	0.000	1	114.4897	0.341	3	115.5807	1.551	15	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(COO)	113.8160	0.000	1	113.8160	0.000	1	114.4897	0.341	3	115.5807	1.551	15	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CH3)(CCO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(CH3)(CCO)	114.8600	0.000	1	114.8600	0.000	1	114.4897	0.341	3	115.5807	1.551	15	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	N(C[6a]C[6a]N[6a])(CH3)(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CH3)(NHH)	115.8217	0.129	3	115.8217	0.017	3	115.2202	0.451	6	115.5807	1.551	15	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CCHH)(NOO)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|N<2>,2|N<3>}	N(C[6a]C[6a]N[6a])(CCHH)(NOO)	114.4460	0.000	1	114.4460	0.000	1	115.2202	0.451	6	115.5807	1.551	15	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CH3)(NOO)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|N<2>,2|N<3>}	N(C[6a]C[6a]N[6a])(CH3)(NOO)	114.7050	0.069	2	114.7050	0.005	2	115.2202	0.451	6	115.5807	1.551	15	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:P-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(POO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(POO)	114.3690	0.000	1	114.3690	0.000	1	114.3690	0.000	1	115.5807	1.551	15	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CCO)	116.0550	0.000	1	116.0550	0.000	1	116.0550	0.000	1	115.5807	1.551	15	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:B-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NSiB)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(SiC3)(BHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NSiB){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(SiC3)(BHN)	117.1243	1.032	4	117.1243	1.066	4	117.1243	1.066	4	115.5807	1.551	15	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)	N(C[6a]C[5a,6a]N[6a])(CH3)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCC){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[5a,6a]N[6a])(CH3)2	117.1960	0.000	1	117.1960	0.000	1	117.1960	0.000	1	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C)	N(C[6a]C[5a,6a]N[6a])(CCHH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(CCHH)2	117.2880	0.000	1	117.2880	0.000	1	116.7214	1.101	8	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(CCHH)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(CCHH)(CH3)	114.6420	0.000	1	114.6420	0.000	1	116.7214	1.101	8	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	N(C[6a]C[5a,6a]N[6a])(CH3)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CH3)2	116.9325	0.162	2	116.9325	0.026	2	116.7214	1.101	8	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(CH3)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CH3)2	115.6400	0.000	1	116.5225	1.558	2	116.7214	1.101	8	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(CH3)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CH3)2	117.4050	0.000	1	116.5225	1.558	2	116.7214	1.101	8	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(CH3)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(CH3)2	117.4655	0.453	2	117.4655	0.205	2	116.7214	1.101	8	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[4]-4:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[4]C)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(C[4]C[4]2H)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[4]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[4]C[4]2H)(CH3)	116.9260	0.000	1	116.9260	0.000	1	116.9260	0.000	1	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6]C)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6]C){1|H<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	116.9940	0.000	1	116.9940	0.000	1	116.9940	0.000	1	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a,6a]N[6a])(CCHH)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCC){1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S){1|C<3>,1|N<2>}	N(C[6a]C[6a,6a]N[6a])(CCHH)2	115.8820	0.000	1	115.8820	0.000	1	115.8820	0.000	1	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(NCC)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(NCC){2|C<4>,3|C<3>}	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N){1|C<4>,2|C<3>}	N(C[6a]C[6a]N[6a])(CH3)2	114.9530	0.000	1	114.9530	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(NCC){1|C<3>,2|N<3>}	N[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N){1|C<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(CH3)2	116.7500	0.000	1	116.7500	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	116.7140	0.000	1	116.7140	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)2	115.6650	0.000	1	115.7700	0.022	2	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)2	115.8750	0.000	1	115.7700	0.022	2	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CCHH)2	115.4610	0.000	1	115.4610	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]N[6a])(CH3)2	115.9580	0.000	1	115.9580	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){3|C<3>}	N(C[6a]C[6a]N[6a])(CH3)2	116.2460	0.000	1	116.2460	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CH3)2	115.7970	0.000	1	115.7970	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)2	115.7690	0.000	1	115.7690	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	115.9000	0.000	1	115.9000	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	116.3760	0.033	2	116.3760	0.001	2	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(CH3)2	116.0400	0.000	1	116.0400	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|C<2>}	N(C[6a]C[6a]N[6a])(CH3)2	116.8750	0.000	1	116.8750	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	117.0890	0.000	1	117.0890	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CH3)2	117.3260	0.000	1	117.3260	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N(C[6a]C[6a]N[6a])(CH3)2	117.4010	0.000	1	117.4010	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	116.8550	0.010	2	116.8550	0.000	2	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(CCHH)2	116.6260	0.243	2	116.6260	0.059	2	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6]HH)2	114.7710	0.000	1	114.7710	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(CH3)	117.4090	0.033	2	117.4090	0.001	2	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	117.5240	0.000	1	117.5240	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	115.9493	0.702	3	115.9493	0.493	3	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CH3)2	116.9300	0.000	1	116.8505	0.013	2	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CH3)2	116.7710	0.000	1	116.8505	0.013	2	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CHHN)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CHHN)(CH3)	117.4385	0.436	2	117.4385	0.190	2	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CHHP)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CHHP)(CH3)	116.9033	0.671	6	116.9033	0.450	6	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CHHP)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CHHP)2	115.6610	0.000	1	115.6610	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CCHH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)2	116.8160	0.000	1	116.8160	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	116.1560	0.000	1	116.1560	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CH3)2	117.1730	0.512	4	117.1730	0.262	4	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	116.6170	0.774	2	116.6170	0.598	2	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	117.7820	0.000	1	117.7820	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	116.9650	0.000	1	116.9650	0.000	1	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|N<2>,1|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	118.0979	1.882	8	118.0979	3.542	8	116.8031	1.191	58	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCS)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCS){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(SC[6a]OO)	115.2020	0.000	1	115.2020	0.000	1	115.8670	0.884	2	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(SC[6a]OO)	116.5320	0.000	1	116.5320	0.000	1	115.8670	0.884	2	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CH3)	117.0330	0.000	1	117.0330	0.000	1	115.5120	4.627	2	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CHHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CHHP)	113.9910	0.000	1	113.9910	0.000	1	115.5120	4.627	2	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CH3)	114.3850	0.000	1	114.3850	0.000	1	114.3850	0.000	1	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	N[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[5a,6a]N[6a])(CH3)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[5a,6a]N[6a])(CH3)2	119.5390	0.000	1	119.5390	0.000	1	119.5390	0.000	1	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CH3)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]N[6a]2)(CH3)2	117.9810	0.000	1	117.9810	0.000	1	118.9542	0.312	5	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(CCHH)2	119.1975	0.146	4	119.1975	0.021	4	118.9542	0.312	5	116.8741	1.558	81	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	4:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[5]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[5]C[5,5]O[5]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[5]H){1|Cl<1>,1|H<1>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<2>,1|C<3>}	N(C[5]C[5,5]O[5]H)(C[6a]C[6a]N[6a])(H)	118.4030	0.427	2	118.4030	0.182	2	117.1817	4.566	3	117.1817	4.566	3	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:2:3:	3:3:	4:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	114.7390	0.000	1	114.7390	0.000	1	117.1817	4.566	3	117.1817	4.566	3	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:2:	3:3:	3:3:3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	116.5333	0.520	3	116.5333	0.270	3	116.5333	0.270	3	115.6177	5.209	7	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:2:	3:3:	3:3:3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Ge[4]-3:	C[6a](C[6a]C[6a]H)(NC[6a]Ge[4])(N[6a]C[6a])	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(Ge[4]N[4,6]N[4])	C[6a](C[6a]C[6a]H)(NC[6a]Ge[4])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(Ge[4]N[4,6]N[4])	114.7145	2.914	2	114.7145	8.491	2	114.7145	8.491	2	115.6177	5.209	7	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:2:	3:3:	3:3:3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	Ge[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(NC[6a]Ge[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(Ge[6]N[6,6a]N[6,6])(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(NC[6a]Ge[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(Ge[6]N[6,6a]N[6,6])(C[6a]C[6a]N[6a])2	115.1475	4.200	2	115.1475	17.636	2	115.1475	17.636	2	115.6177	5.209	7	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:2:	3:3:	3:3:4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	117.2920	0.000	1	117.2920	0.000	1	117.1220	0.058	2	117.1345	0.410	6	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:2:	3:3:	3:3:4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	116.9520	0.000	1	116.9520	0.000	1	117.1220	0.058	2	117.1345	0.410	6	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:2:	3:3:	3:3:4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(C[6]C[6]2H)	117.0580	0.598	2	117.0580	0.358	2	117.1407	0.664	4	117.1345	0.410	6	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP2	C[6a]	N[6a]	N	3:3:2:	3:3:	3:3:4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(C[6]C[6]2Re)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(C[6]C[6]2Re)	117.2235	1.268	2	117.2235	1.607	2	117.1407	0.664	4	117.1345	0.410	6	116.9394	4.624	5247	116.9394	4.624	5247
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	2:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:	C[6a]-3:N[5a]-3:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(N[5a]C[5a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H){2|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N(C[6a]N[6a]2)(N[5a]C[5a]2)(H)	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	110.1845	1.717	2	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	2:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H){2|C<3>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	109.2580	0.000	1	109.2580	0.000	1	109.2580	0.000	1	110.1845	1.717	2	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:2:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|N<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	N(C[6a]N[6a]2)(H)2	116.9340	0.000	1	116.9340	0.000	1	116.9340	0.000	1	116.9340	0.000	1	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:2:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N-3:H-1:	C[6a](N[6a]N[6a])2(NHN)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]N[6a]2)(NCH)(H)	C[6a](N[6a]N[6a])2(NHN){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N(C[6a]N[6a]2)(NCH)(H)	117.3250	3.670	2	117.3250	13.468	2	117.3250	13.468	2	117.3250	13.468	2	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|Co<6>,1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)2	115.2510	0.000	1	115.2510	0.000	1	115.2510	0.000	1	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	116.1780	0.000	1	116.7800	0.242	9	116.7800	0.242	9	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.8110	0.000	1	116.7800	0.242	9	116.7800	0.242	9	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	116.6890	0.299	6	116.7800	0.242	9	116.7800	0.242	9	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	116.8970	0.000	1	116.7800	0.242	9	116.7800	0.242	9	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.5510	0.000	1	117.5510	0.000	1	117.5510	0.000	1	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)2	116.0440	0.000	1	116.0440	0.000	1	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	115.6430	0.000	1	115.6430	0.000	1	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	116.1630	0.000	1	115.4547	0.311	6	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	115.5203	0.179	4	115.4547	0.311	6	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	114.4840	0.000	1	115.4547	0.311	6	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]N){2|C<3>,2|C<4>}	N(C[6a]N[6a]2)(H)2	115.6630	0.000	1	115.6630	0.000	1	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	114.6360	0.000	1	114.6360	0.000	1	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	115.0080	0.000	1	115.0080	0.000	1	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]N[6a]2)(H)2	117.2520	0.000	1	117.2520	0.000	1	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|O<2>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.1050	0.000	1	117.1050	0.000	1	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.5060	0.000	1	117.5060	0.000	1	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	116.4810	0.000	1	116.4810	0.000	1	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	115.8893	0.580	3	115.8893	0.337	3	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.6950	0.000	1	117.5738	0.099	5	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	117.5435	0.354	4	117.5738	0.099	5	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	116.1720	0.000	1	116.6650	1.973	6	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	116.7540	0.000	1	116.6650	1.973	6	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	115.3270	1.131	2	116.6650	1.973	6	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	118.2050	0.091	2	116.6650	1.973	6	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N){1|N<3>,3|C<3>}	N(C[6a]N[6a]2)(H)2	117.3020	1.133	3	117.1896	0.706	5	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	117.0210	0.397	2	117.1896	0.706	5	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	N(C[6a]N[6a]2)(H)2	117.1920	1.314	2	117.7197	1.698	3	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	N(C[6a]N[6a]2)(H)2	118.7750	0.000	1	117.7197	1.698	3	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N(C[6a]N[6a]2)(H)2	117.6950	0.000	1	117.6950	0.000	1	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N(C[6a]N[6a]2)(H)2	117.0223	0.472	3	116.7522	0.407	5	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	N(C[6a]N[6a]2)(H)2	116.9110	0.000	1	116.7522	0.407	5	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(H)2	115.7830	0.000	1	116.7522	0.407	5	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(H)2	117.4450	0.365	2	117.2280	0.556	25	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]N[6a]2)(H)2	117.2092	0.772	23	117.2280	0.556	25	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N(C[6a]N[6a]2)(H)2	116.7350	1.095	2	116.7350	1.198	2	116.8332	1.043	70	116.8167	0.961	81	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:2:4:	N[6a]-2:S[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:C-4:	C[6a](N[6a]C[6a])(S[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]O)(C[6a]S[6a]N)	N(C[6a]N[6a]S[6a])(NC[6])(CH3)	C[6a](N[6a]C[6a])(S[6a]C[6a])(NCN){1|C<3>,1|H<1>,1|O<1>}	N[6a](C[6a]C[6a]O)(C[6a]S[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]S[6a])(NC[6])(CH3)	118.9730	0.000	1	118.9730	0.000	1	118.9730	0.000	1	118.9730	0.000	1	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	116.9440	3.001	2	116.9440	9.006	2	117.1403	4.929	4	118.5015	7.641	6	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N)2	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	119.0140	0.000	1	119.0140	0.000	1	117.1403	4.929	4	118.5015	7.641	6	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){3|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	115.6590	0.000	1	115.6590	0.000	1	117.1403	4.929	4	118.5015	7.641	6	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(N[5a]C[5a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|H<1>,3|N<2>}	N(C[6a]N[6a]2)(N[5a]C[5a]2)(H)	120.4560	0.000	1	120.4560	0.000	1	120.4560	0.000	1	118.5015	7.641	6	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:H-1:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|H<1>,3|N<2>}	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	121.9920	0.000	1	121.9920	0.000	1	121.9920	0.000	1	118.5015	7.641	6	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)2	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]O)2	113.5975	0.059	2	113.5975	0.003	2	115.3957	4.313	4	115.3957	4.313	4	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]O)2	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]O)2	117.1940	0.016	2	117.1940	0.000	2	115.3957	4.313	4	115.3957	4.313	4	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CC[6a]HH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(CC[6a]HH)(H)	116.3300	1.089	2	116.3300	1.186	2	116.3300	1.186	2	116.3542	4.915	72	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(SC[6a]OO)(H)	118.3998	0.348	28	118.0765	2.345	34	116.3549	5.041	70	116.3542	4.915	72	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(SC[6a]OO)(H)	116.5680	3.392	6	118.0765	2.345	34	116.3549	5.041	70	116.3542	4.915	72	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(SC[6a]OO)(H)	114.2400	0.459	28	114.7289	2.127	36	116.3549	5.041	70	116.3542	4.915	72	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]N[6a]2)(SC[6a]OO)(H)	116.1185	4.639	2	114.7289	2.127	36	116.3549	5.041	70	116.3542	4.915	72	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(SC[6a]OO)(H)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|O<2>}	N(C[6a]N[6a]2)(SC[6a]OO)(H)	116.5470	1.836	6	114.7289	2.127	36	116.3549	5.041	70	116.3542	4.915	72	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	4:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[5]H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N(C[5]C[5]N[5]H)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5]H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	N(C[5]C[5]N[5]H)(C[6a]N[6a]2)(H)	118.3060	0.000	1	118.3060	0.000	1	116.7240	5.005	2	116.7240	5.005	2	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:2:3:	3:3:	4:3:1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:H-1:	C[6a](N[6a]C[6a])2(NC[5]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[5]C[5]N[5]H)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5]H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[5]C[5]N[5]H)(C[6a]N[6a]2)(H)	115.1420	0.000	1	115.1420	0.000	1	116.7240	5.005	2	116.7240	5.005	2	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH){1|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.7190	0.000	1	116.7190	0.000	1	117.7218	1.100	4	118.1283	0.903	7	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	117.6455	0.974	2	117.6455	0.948	2	117.7218	1.100	4	118.1283	0.903	7	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	118.8770	0.000	1	118.8770	0.000	1	117.7218	1.100	4	118.1283	0.903	7	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]N[6a]2)(H)2	118.3610	0.000	2	118.3610	0.000	2	118.3610	0.000	2	118.1283	0.903	7	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:	3:1:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]N[6a]2)(H)2	119.2890	0.000	1	119.2890	0.000	1	119.2890	0.000	1	118.1283	0.903	7	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:1:	N[6a]-2:N[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.9570	0.000	1	120.9570	0.000	1	120.9570	0.000	1	120.9570	0.000	1	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(NC[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(NC[6a]N){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	117.1390	0.000	1	117.1390	0.000	1	117.1390	0.000	1	117.1390	0.000	1	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHS)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHS){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	116.1140	0.000	1	116.1140	0.000	1	116.1140	0.000	1	118.2620	2.163	4	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(NCH){1|C<3>,1|O<1>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N(C[6a]N[6a]2)(CCHH)(H)	118.5350	0.000	1	118.5350	0.000	1	118.5350	0.000	1	118.2620	2.163	4	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H){1|O<1>,1|O<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]N){4|C<3>}	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	119.0550	0.000	1	119.0550	0.000	1	119.0550	0.000	1	118.2620	2.163	4	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:1:	N[6a]-2:N[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCCH)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]N[6a]2)(CCCH)(H)	119.3440	0.000	1	119.3440	0.000	1	119.3440	0.000	1	118.2620	2.163	4	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]N){1|S<2>,4|C<3>}	N(C[6a]N[6a]2)(CCHH)2	120.6220	0.000	1	120.6220	0.000	1	120.3010	0.206	2	120.3010	0.206	2	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	2:3:3:	3:3:	3:4:4:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N)	N(C[6a]N[6a]2)(CCHH)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,1|S<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N){4|C<3>}	N(C[6a]N[6a]2)(CCHH)2	119.9800	0.000	1	119.9800	0.000	1	120.3010	0.206	2	120.3010	0.206	2	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	117.9340	0.546	2	117.9340	0.298	2	117.9340	0.298	2	117.9340	0.298	2	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHS)	N[6a](C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	112.9115	0.491	2	112.9115	0.242	2	112.9115	0.242	2	112.9115	0.242	2	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(H)2	119.1585	0.213	2	119.1585	0.045	2	119.1585	0.045	2	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S){2|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	117.4880	0.000	1	117.4880	0.000	1	117.4880	0.000	1	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH){1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	114.4830	0.000	1	114.4830	0.000	1	115.6470	2.710	2	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|N<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.8110	0.000	1	116.8110	0.000	1	115.6470	2.710	2	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.1005	0.122	2	116.1005	0.015	2	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{2|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	115.4480	0.000	1	115.4480	0.000	1	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	115.8330	0.000	1	115.8330	0.000	1	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{2|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	116.2470	0.000	1	116.2470	0.000	1	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|F<1>}	N(C[6a]C[6a]N[6a])(H)2	119.0360	0.000	1	119.1855	0.045	2	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]F)(C[6a]C[6a]N){1|C<3>,2|F<1>}	N(C[6a]C[6a]N[6a])(H)2	119.3350	0.000	1	119.1855	0.045	2	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	116.5800	0.000	1	116.5800	0.000	1	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]N[6a])(H)2	116.4770	0.000	1	117.1673	0.491	3	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	117.8780	0.000	1	117.1673	0.491	3	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	117.1470	0.000	1	117.1673	0.491	3	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	117.3250	0.000	1	115.9245	1.093	6	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	115.9912	0.485	4	115.9245	1.093	6	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	114.2570	0.000	1	115.9245	1.093	6	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	116.2700	0.000	1	116.2700	0.000	1	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	115.4385	0.742	2	115.4385	0.550	2	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	116.8090	0.000	1	117.1360	0.214	2	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	117.4630	0.000	1	117.1360	0.214	2	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	114.9500	0.000	1	114.9500	0.000	1	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	118.3520	0.000	1	118.3520	0.000	1	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	118.6070	0.000	1	118.6070	0.000	1	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	117.4870	0.000	1	117.4870	0.000	1	116.6363	1.633	26	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:1:1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N(C[6a]N[6a]2)(H)2	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|O<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(H)2	119.4190	0.000	1	119.4190	0.000	1	119.4190	0.000	1	116.8457	2.108	32	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NC)(H)	114.7330	0.000	1	114.7330	0.000	1	114.7330	0.000	1	114.7330	0.000	1	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	117.4530	0.000	1	117.4530	0.000	1	117.4530	0.000	1	116.0239	5.068	16	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	117.4650	0.000	1	117.4650	0.000	1	117.4650	0.000	1	116.0239	5.068	16	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	117.1760	0.318	3	117.1760	0.101	3	116.1073	5.846	12	116.0239	5.068	16	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	113.3835	0.650	2	113.3835	0.422	2	116.1073	5.846	12	116.0239	5.068	16	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	115.7657	1.941	4	115.7657	3.766	4	116.1073	5.846	12	116.0239	5.068	16	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	114.3660	0.000	1	115.1460	1.217	2	116.1073	5.846	12	116.0239	5.068	16	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	115.9260	0.000	1	115.1460	1.217	2	116.1073	5.846	12	116.0239	5.068	16	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NC[6a]H){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.6380	0.000	1	121.6380	0.000	1	116.1073	5.846	12	116.0239	5.068	16	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(NCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(NCH)(H)	114.0880	0.132	2	114.0880	0.017	2	114.0880	0.017	2	116.0239	5.068	16	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-3:N-2:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCN)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCN){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(NC)	116.3660	0.000	1	116.3660	0.000	1	116.3660	0.000	1	116.3660	0.000	1	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	114.1485	0.336	2	114.1485	0.113	2	114.1485	0.113	2	114.1485	0.113	2	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])2(CH3)	116.9650	0.000	1	116.9650	0.000	1	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	116.7975	0.618	4	116.7975	0.382	4	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	115.3740	0.000	1	115.3740	0.000	1	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	114.1490	0.820	3	113.6365	1.499	4	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	112.0990	0.000	1	113.6365	1.499	4	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	116.1635	0.484	2	116.6385	0.383	4	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	117.1135	0.114	2	116.6385	0.383	4	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	115.8160	0.000	1	115.5090	0.188	2	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	115.2020	0.000	1	115.5090	0.188	2	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])2(CH3)	115.5595	0.418	2	115.5595	0.175	2	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(CCHH)	116.7755	0.555	2	116.7755	0.308	2	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(CH3)	115.6950	0.000	1	115.6950	0.000	1	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	115.6975	0.161	2	115.6975	0.026	2	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(CH3)	116.1575	1.103	37	116.1575	1.217	37	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])2(CH3)	116.0330	0.000	1	116.0330	0.000	1	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	117.6360	0.000	1	117.6360	0.000	1	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	113.7650	0.000	1	113.7650	0.000	1	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]N[6a])2(CH3)	116.3300	0.154	2	116.3300	0.024	2	116.0205	1.411	65	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[5]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(N[5]C[5,5]C[5])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[5]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(N[5]C[5,5]C[5])(CH3)	116.0110	0.000	1	116.0110	0.000	1	116.0110	0.000	1	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	115.3607	0.566	3	115.3607	0.320	3	115.3607	0.320	3	115.9916	1.355	69	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	117.9470	0.000	1	116.7755	2.745	2	116.3873	2.613	13	116.0606	6.234	27	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	115.6040	0.000	1	116.7755	2.745	2	116.3873	2.613	13	116.0606	6.234	27	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	115.9907	1.668	4	115.9832	2.087	5	116.3873	2.613	13	116.0606	6.234	27	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	115.9530	0.000	1	115.9832	2.087	5	116.3873	2.613	13	116.0606	6.234	27	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CHHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CHHN)(H)	116.1160	0.000	1	116.1160	0.000	1	116.3873	2.613	13	116.0606	6.234	27	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	116.4050	0.000	1	116.4050	0.000	1	116.3873	2.613	13	116.0606	6.234	27	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	115.7260	0.000	1	115.7260	0.000	1	116.3873	2.613	13	116.0606	6.234	27	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	113.7430	0.000	1	113.7430	0.000	1	116.3873	2.613	13	116.0606	6.234	27	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(CHHP)(H)	118.7890	0.314	2	118.7890	0.099	2	116.3873	2.613	13	116.0606	6.234	27	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(PNNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PNNO)(H)	114.1495	0.120	2	114.1495	0.014	2	113.7217	0.556	3	116.0606	6.234	27	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	N[6a](C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(PC[6a]2Ru)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2Ru)(H)	112.8660	0.000	1	112.8660	0.000	1	113.7217	0.556	3	116.0606	6.234	27	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	114.3877	1.166	3	115.1408	3.710	5	115.5567	5.368	10	116.0606	6.234	27	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	116.2705	2.805	2	115.1408	3.710	5	115.5567	5.368	10	116.0606	6.234	27	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	114.7245	0.444	4	114.7245	0.197	4	115.5567	5.368	10	116.0606	6.234	27	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	120.9650	0.000	1	120.9650	0.000	1	115.5567	5.368	10	116.0606	6.234	27	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	N[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]O)	N(C[6a]N[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]N[5a,6a]N[6a])(CC[6a]HH)(H)	123.8680	0.000	1	123.8680	0.000	1	123.8680	0.000	1	116.0606	6.234	27	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC3)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC3)(OH)	113.7760	0.000	1	113.7760	0.000	1	113.7760	0.000	1	113.7760	0.000	1	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6]C)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	116.0880	0.000	1	116.0880	0.000	1	116.0880	0.000	1	116.9060	1.651	4	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|N<2>,1|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	118.7850	0.000	1	118.7850	0.000	1	118.7850	0.000	1	116.9060	1.651	4	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CH3)	116.6840	0.000	1	116.6840	0.000	1	116.3755	0.190	2	116.9060	1.651	4	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CHHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CHHO)	116.0670	0.000	1	116.0670	0.000	1	116.3755	0.190	2	116.9060	1.651	4	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	4:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	116.5940	0.000	1	116.5940	0.000	1	117.2680	0.909	2	117.2680	0.909	2	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:2:3:	3:3:	4:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	117.9420	0.000	1	117.9420	0.000	1	117.2680	0.909	2	117.2680	0.909	2	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:3:2:	3:3:	3:3:4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	116.3421	0.422	10	116.3421	0.178	10	116.7631	0.371	22	116.7631	0.371	22	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:3:2:	3:3:	3:3:4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a])	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a]){1|Si<4>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Si)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	116.7030	0.000	1	116.7030	0.000	1	116.7631	0.371	22	116.7631	0.371	22	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:3:2:	3:3:	3:3:4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	116.8640	0.000	1	116.8640	0.000	1	116.7631	0.371	22	116.7631	0.371	22	116.4947	3.308	367	116.4947	3.308	367
643	371	956	0:SP2_SP2_SP3	C[6a]	N[6a]	N	3:3:2:	3:3:	3:3:4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	117.1800	0.543	10	117.1800	0.295	10	116.7631	0.371	22	116.7631	0.371	22	116.4947	3.308	367	116.4947	3.308	367