813	490	813	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:1:	B[5a]-3:N[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[5a]-3:N[5a]-3:H-1:	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]H)(CH3)	C(N[5a]B[5a]N[5a])(H)3	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]C)(H)	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]H)(CH3){1|N<3>,3|C<3>}	C(N[5a]B[5a]N[5a])(H)3	N[5a](B[5a]C[6a]N[5a])(N[5a]B[5a]C)(H){1|N<3>,3|C<3>}	116.4490	0.000	1	116.4490	0.000	1	116.4490	0.000	1	119.2085	15.230	2	117.7775	5.116	88	117.7775	5.116	88
813	490	813	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CH3){1|C<4>,1|S<2>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|O<1>,1|S<2>}	121.9680	0.000	1	121.9680	0.000	1	121.9680	0.000	1	119.2085	15.230	2	117.7775	5.116	88	117.7775	5.116	88
813	490	813	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	114.6365	0.305	2	117.7363	4.938	78	117.7363	4.938	78	117.7363	4.938	78	117.7775	5.116	88	117.7775	5.116	88
813	490	813	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	117.6731	1.814	52	117.7363	4.938	78	117.7363	4.938	78	117.7363	4.938	78	117.7775	5.116	88	117.7775	5.116	88
813	490	813	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.8884	2.286	17	117.7363	4.938	78	117.7363	4.938	78	117.7363	4.938	78	117.7775	5.116	88	117.7775	5.116	88
813	490	813	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	121.3087	2.088	3	117.7363	4.938	78	117.7363	4.938	78	117.7363	4.938	78	117.7775	5.116	88	117.7775	5.116	88
813	490	813	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	121.0325	1.478	4	117.7363	4.938	78	117.7363	4.938	78	117.7363	4.938	78	117.7775	5.116	88	117.7775	5.116	88
813	490	813	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CH3){1|C<4>,1|O<1>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(CH3){1|C<4>,1|O<1>}	115.6890	0.091	2	115.6890	0.008	2	115.6890	0.008	2	115.6890	0.008	2	117.7775	5.116	88	117.7775	5.116	88
813	490	813	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	4:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[6]C[5,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3){1|H<1>,1|O<1>,3|C<4>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[6]C[5,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	116.4310	0.000	1	116.4310	0.000	1	116.4310	0.000	1	116.4310	0.000	1	117.7775	5.116	88	117.7775	5.116	88
813	490	813	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:3:4:	3:2:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C(N[5a]C[5a]N[5a])(CC)(H)2	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CC)(H)2	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	119.9030	0.000	1	119.9030	0.000	1	119.9030	0.000	1	119.9030	0.000	1	117.7775	5.116	88	117.7775	5.116	88
813	490	813	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:S-4:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(SC[6a]OO)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|O<1>}	114.3690	0.000	1	114.3690	0.000	1	114.3690	0.000	1	114.3690	0.000	1	117.7775	5.116	88	117.7775	5.116	88
813	490	813	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	119.6780	0.475	2	119.6780	0.226	2	119.6780	0.226	2	120.1623	0.817	3	117.7775	5.116	88	117.7775	5.116	88
813	490	813	0:SP2_SP2_SP3	N[5a]	C	N[5a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CCHH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHHO)(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|H<1>,1|O<1>}	121.1310	0.000	1	121.1310	0.000	1	121.1310	0.000	1	120.1623	0.817	3	117.7775	5.116	88	117.7775	5.116	88
813	490	813	0:SP2_SP3_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	117.3980	1.653	10	117.5231	3.111	14	117.5231	3.111	14	117.5231	3.111	14	117.5231	3.111	14	117.5231	3.111	14
813	490	813	0:SP2_SP3_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.9643	1.759	3	117.5231	3.111	14	117.5231	3.111	14	117.5231	3.111	14	117.5231	3.111	14	117.5231	3.111	14
813	490	813	0:SP2_SP3_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	120.4500	0.000	1	117.5231	3.111	14	117.5231	3.111	14	117.5231	3.111	14	117.5231	3.111	14	117.5231	3.111	14
813	490	813	0:SP3_SP2_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	117.2197	2.334	3	116.1403	5.075	11	116.1403	5.075	11	116.1403	5.075	11	116.1403	5.075	11	116.1403	5.075	11
813	490	813	0:SP3_SP2_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	115.3323	2.079	7	116.1403	5.075	11	116.1403	5.075	11	116.1403	5.075	11	116.1403	5.075	11	116.1403	5.075	11
813	490	813	0:SP3_SP2_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	118.5580	0.000	1	116.1403	5.075	11	116.1403	5.075	11	116.1403	5.075	11	116.1403	5.075	11	116.1403	5.075	11
813	490	813	0:SP3_SP3_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CH3){1|H<1>,1|O<1>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(H){1|H<1>,1|O<1>}	120.4050	0.000	1	120.4050	0.000	1	120.4050	0.000	1	120.4050	0.000	1	116.6326	3.084	88	116.6326	3.084	88
813	490	813	0:SP3_SP3_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:N[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(CH3)	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(N[5a]C[5a,6]N[5a])(H)3	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	115.1760	0.000	1	115.1760	0.000	1	115.1760	0.000	1	116.5836	2.891	77	116.6326	3.084	88	116.6326	3.084	88
813	490	813	0:SP3_SP3_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	114.2140	0.710	3	116.6022	2.902	76	116.6022	2.902	76	116.5836	2.891	77	116.6326	3.084	88	116.6326	3.084	88
813	490	813	0:SP3_SP3_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,3|H<1>}	117.4490	1.038	3	116.6022	2.902	76	116.6022	2.902	76	116.5836	2.891	77	116.6326	3.084	88	116.6326	3.084	88
813	490	813	0:SP3_SP3_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	116.9801	1.417	50	116.6022	2.902	76	116.6022	2.902	76	116.5836	2.891	77	116.6326	3.084	88	116.6326	3.084	88
813	490	813	0:SP3_SP3_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	115.7796	2.062	17	116.6022	2.902	76	116.6022	2.902	76	116.5836	2.891	77	116.6326	3.084	88	116.6326	3.084	88
813	490	813	0:SP3_SP3_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	114.7650	0.000	1	116.6022	2.902	76	116.6022	2.902	76	116.5836	2.891	77	116.6326	3.084	88	116.6326	3.084	88
813	490	813	0:SP3_SP3_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	117.3750	2.387	2	116.6022	2.902	76	116.6022	2.902	76	116.5836	2.891	77	116.6326	3.084	88	116.6326	3.084	88
813	490	813	0:SP3_SP3_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:4:	B[5a,6]-3:N[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[5a]-3:N[5a]-3:C-4:	N[5a](B[5a,6]N[5a,6]N[6])(N[5a]B[5a]C)(CH3)	C(N[5a]B[5a,6]N[5a])(H)3	N[5a](B[5a]N[5a,6]C[6a])(N[5a]B[5a,6]C)(CH3)	N[5a](B[5a,6]N[5a,6]N[6])(N[5a]B[5a]C)(CH3){1|C<3>,1|C<4>,2|N<3>}	C(N[5a]B[5a,6]N[5a])(H)3	N[5a](B[5a]N[5a,6]C[6a])(N[5a]B[5a,6]C)(CH3){2|C<3>,2|N<3>}	115.0010	1.041	2	115.0010	1.083	2	115.0010	1.083	2	115.6158	3.040	5	116.6326	3.084	88	116.6326	3.084	88
813	490	813	0:SP3_SP3_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:4:	B[5a]-3:N[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	B[5a,6]-3:N[5a]-3:C-4:	N[5a](B[5a]N[5a,6]C[6a])(N[5a]B[5a,6]C)(CH3)	C(N[5a]B[5a]N[5a])(H)3	N[5a](B[5a,6]N[5a,6]N[6])(N[5a]B[5a]C)(CH3)	N[5a](B[5a]N[5a,6]C[6a])(N[5a]B[5a,6]C)(CH3){2|C<3>,2|N<3>}	C(N[5a]B[5a]N[5a])(H)3	N[5a](B[5a,6]N[5a,6]N[6])(N[5a]B[5a]C)(CH3){1|C<3>,1|C<4>,2|N<3>}	114.7475	0.121	2	114.7475	0.015	2	114.7475	0.015	2	115.6158	3.040	5	116.6326	3.084	88	116.6326	3.084	88
813	490	813	0:SP3_SP3_SP3	N[5a]	C	N[5a]	3:3:4:	3:1:1:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3)	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(C[6]C[6]2H)	N[5a](N[5a]C[5a]C[6])(C[5a]N[5a]O)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(N[5a]C[5a]N[5a])(H)3	N[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	118.5820	0.000	1	118.5820	0.000	1	118.5820	0.000	1	115.6158	3.040	5	116.6326	3.084	88	116.6326	3.084	88
813	490	813	0:SP3_SP3_SP3	N[5a]	C	N[5a]	3:3:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:S-4:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH)	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(SC[6a]OO)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(COO)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|O<1>}	115.1130	0.000	1	115.1130	0.000	1	115.1130	0.000	1	115.1130	0.000	1	116.6326	3.084	88	116.6326	3.084	88
813	490	813	0:SP3_SP3_SP3	N[5a]	C	N[5a]	3:3:4:	3:3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:C-3:C-3:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(CN[5a]CC)	C(N[5a]C[5a]N[5a])2(CCO)2	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]C)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(CN[5a]CC){1|N<3>,1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])2(CCO)2	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	118.2820	1.115	4	118.2820	1.244	4	118.2820	1.244	4	118.2820	1.244	4	116.6326	3.084	88	116.6326	3.084	88
813	519	519	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,5a]-3:N[5a]-2:N[5a]-2:	C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:N[5a,5a]-3:	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a])	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2{1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a]){1|H<1>,4|C<3>}	131.0150	0.000	1	130.8595	0.048	2	130.8595	0.048	2	130.8595	0.048	2	130.8595	0.048	2	130.8595	0.048	2
813	519	519	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	N[5a,5a]-3:N[5a]-2:N[5a]-2:	C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:N[5a,5a]-3:	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a])	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2{1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a]){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a]){2|N<2>,3|C<3>}	130.7040	0.000	1	130.8595	0.048	2	130.8595	0.048	2	130.8595	0.048	2	130.8595	0.048	2	130.8595	0.048	2
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:2:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>}	N[5a](N[5a]N[5a]H)(N[5a]C[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	114.8029	0.382	8	114.8029	0.146	8	114.8355	0.151	11	114.7328	0.170	18	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:2:	3:3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	N[5a](N[5a]N[5a]H)(N[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]H)	114.9223	0.478	3	114.9223	0.229	3	114.8355	0.151	11	114.7328	0.170	18	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:2:	3:3:	N[5a]-2:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(O)	N[5a](N[5a]N[5a]O)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]O)	N[5a](N[5a]C[5a])(N[5a]N[5a])(O){1|N<3>}	N[5a](N[5a]N[5a]O)(N[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]O)	114.5716	0.424	7	114.5716	0.180	7	114.5716	0.180	7	114.7328	0.170	18	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:2:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]H)	N[5a](N[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]H){2|C<3>}	N[5a](N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>}	112.6080	2.015	2	112.6080	4.061	2	114.1064	1.821	21	114.1064	1.821	21	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:2:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	N[5a](N[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	N[5a](N[5a]N[5a]H)(N[5a]C[5a]){1|N<3>}	114.1761	1.290	9	114.1761	1.664	9	114.1064	1.821	21	114.1064	1.821	21	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:2:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]H)	N[5a](N[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]H){1|C<3>,1|N<2>}	N[5a](N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>}	114.2460	0.000	1	114.2460	0.000	1	114.1064	1.821	21	114.1064	1.821	21	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:2:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H)	N[5a](N[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H){1|C<3>,1|N<3>}	N[5a](N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>}	114.8620	0.571	4	114.8596	0.176	7	114.1064	1.821	21	114.1064	1.821	21	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:2:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H)	N[5a](N[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H){2|C<3>}	N[5a](N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>}	114.8563	0.200	3	114.8596	0.176	7	114.1064	1.821	21	114.1064	1.821	21	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:2:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H)	N[5a](N[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H){1|C<3>,1|N<2>}	N[5a](N[5a]N[5a]H)(N[5a]C[5a]){1|N<3>}	114.1400	0.000	1	112.5855	4.833	2	114.1064	1.821	21	114.1064	1.821	21	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:2:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H)	N[5a](N[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H){1|C<3>,1|N<3>}	N[5a](N[5a]N[5a]H)(N[5a]C[5a]){1|N<3>}	111.0310	0.000	1	112.5855	4.833	2	114.1064	1.821	21	114.1064	1.821	21	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:	N[5a](N[5a]C[5a,6])2(H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)	N[5a](N[5a]C[5a,6])2(H){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H){1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H){1|O<1>,2|C<3>}	117.3040	0.066	2	117.3040	0.004	2	117.3040	0.004	2	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H)	N[5a](N[5a]C[5a])2(H){2|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>}	115.8080	0.000	1	115.8080	0.000	1	116.1988	0.534	21	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	N[5a](N[5a]C[5a])2(H){2|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H){1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<3>}	116.2240	0.000	1	115.8815	0.235	2	116.1988	0.534	21	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	N[5a](N[5a]C[5a])2(H){2|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H){1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<3>}	115.5390	0.000	1	115.8815	0.235	2	116.1988	0.534	21	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)	N[5a](N[5a]C[5a])2(H){2|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H){1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H){3|C<3>}	116.2020	0.000	1	116.2020	0.000	1	116.1988	0.534	21	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]H)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H){1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a]H){1|C<3>}	116.3665	0.655	2	116.3665	0.430	2	116.1988	0.534	21	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	N[5a](N[5a]C[5a])2(H){1|C<2>,1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<2>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<3>}	115.9600	0.000	1	116.6923	0.240	7	116.1988	0.534	21	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<4>}	116.7978	0.516	4	116.6923	0.240	7	116.1988	0.534	21	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	N[5a](N[5a]C[5a])2(H){2|C<2>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<2>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<2>}	116.8475	0.107	2	116.6923	0.240	7	116.1988	0.534	21	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]H)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a]H){1|C<3>}	115.9370	0.000	1	115.9370	0.000	1	116.1988	0.534	21	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]O)(N[5a]N[5a]H)	N[5a](N[5a]C[5a])2(H){1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]N[5a]H){1|C<4>}	114.8370	0.000	1	114.8370	0.000	1	116.1988	0.534	21	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H){1|Fe<10>,1|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<4>}	116.9360	0.000	1	116.9360	0.000	1	116.1988	0.534	21	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]H)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H){1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a]H){1|C<3>}	116.8910	0.000	1	116.8910	0.000	1	116.1988	0.534	21	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<3>}	116.3110	0.000	1	116.3110	0.000	1	116.1988	0.534	21	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)	N[5a](N[5a]C[5a])2(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H){3|C<3>}	114.4880	0.000	1	114.4880	0.000	1	116.1988	0.534	21	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]H)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a]H){1|C<3>}	115.4960	0.000	1	115.4960	0.000	1	116.1988	0.534	21	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:1:	3:3:	3:3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]H)	N[5a](N[5a]C[5a])2(H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>}	115.9260	0.000	1	115.9260	0.000	1	116.1988	0.534	21	116.2949	0.587	23	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a](N[5a]N[5a])2(NN)	N[5a](N[5a]N[5a]N)(N[5a]N[5a])	N[5a](N[5a]N[5a]N)(N[5a]N[5a])	N[5a](N[5a]N[5a])2(NN)	N[5a](N[5a]N[5a]N)(N[5a]N[5a])	N[5a](N[5a]N[5a]N)(N[5a]N[5a])	107.0850	0.375	3	107.0850	0.141	3	107.0850	0.141	3	107.0850	0.141	3	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:2:	3:2:	3:3:	N[5a]-2:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(OH)	N[5a](N[5a]N[5a]O)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]O)	N[5a](N[5a]C[5a])(N[5a]N[5a])(OH){1|N<3>}	N[5a](N[5a]N[5a]O)(N[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]O)	116.5340	0.000	1	116.5340	0.000	1	116.5340	0.000	1	116.5340	0.000	1	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CNN)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CNN){1|N<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	113.7827	0.155	3	113.7827	0.024	3	113.7827	0.024	3	115.0412	1.997	10	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:C[5]-3:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:	N[5a](N[5a]C[5a])(N[5a]O[5a])(C[5]N[5]2)	N[5a](N[5a]N[5a]C[5])(O[5a]C[5a])	N[5a](N[5a]N[5a]C[5])(C[5a]O[5a]O)	N[5a](N[5a]C[5a])(N[5a]O[5a])(C[5]N[5]2){1|O<1>,2|N<2>}	N[5a](N[5a]N[5a]C[5])(O[5a]C[5a]){1|O<1>,2|N<2>}	N[5a](N[5a]N[5a]C[5])(C[5a]O[5a]O){2|N<2>}	118.4690	0.000	1	118.4690	0.000	1	118.4690	0.000	1	115.0412	1.997	10	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](N[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a]N)	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|H<1>}	N[5a](N[5a]N[5a]N)(N[5a]C[5a]){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]N)	114.9466	0.419	5	114.9466	0.175	5	115.0992	0.280	6	115.0412	1.997	10	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](N[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]N)	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|N<3>}	N[5a](N[5a]N[5a]N)(N[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]N)	115.8620	0.000	1	115.8620	0.000	1	115.0992	0.280	6	115.0412	1.997	10	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:2:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]N)	N[5a](N[5a]N[5a]N)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]N){1|N<2>,1|N<3>}	N[5a](N[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	115.3760	0.000	1	115.3760	0.000	1	115.3760	0.000	1	115.3760	0.000	1	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CCC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	117.6240	0.000	1	117.6240	0.000	1	117.0782	0.616	8	116.7349	0.989	60	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	117.6560	0.000	1	117.6560	0.000	1	117.0782	0.616	8	116.7349	0.989	60	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CC[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CC[5]C){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	116.3210	0.000	1	116.3210	0.000	1	117.0782	0.616	8	116.7349	0.989	60	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	117.0050	0.878	5	117.0050	0.771	5	117.0782	0.616	8	116.7349	0.989	60	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CCO)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CCO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|C<3>}	115.0310	0.000	1	115.0310	0.000	1	115.0310	0.000	1	116.7349	0.989	60	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-3:	N[5a](N[5a]C[5,5a])2(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[6a]N[5a])	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[5,5a])2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[6a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[6a]N[5a]){2|C<3>,4|C<4>}	116.0632	0.253	4	116.0632	0.064	4	116.0632	0.064	4	116.7349	0.989	60	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6,6]-3:N[5a]-3:	C[5a,6,6]-3:N[5a]-3:	N[5a](N[5a]C[5a,6,6])2(C[6a]C[6a]2)	N[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[6a]N[5a])	N[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[5a,6,6])2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	115.8005	0.426	6	115.8005	0.182	6	115.8005	0.182	6	116.7349	0.989	60	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	116.4800	0.000	1	116.4800	0.000	1	116.3670	0.026	2	116.7349	0.989	60	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	116.2540	0.000	1	116.2540	0.000	1	116.3670	0.026	2	116.7349	0.989	60	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[6a]N[5a])	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	116.4787	0.401	6	116.4787	0.161	6	116.8577	0.976	37	116.7349	0.989	60	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	116.8876	1.105	27	116.9473	1.140	30	116.8577	0.976	37	116.7349	0.989	60	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	117.7260	0.013	2	116.9473	1.140	30	116.8577	0.976	37	116.7349	0.989	60	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	117.0010	0.000	1	116.9473	1.140	30	116.8577	0.976	37	116.7349	0.989	60	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[6a]N[5a]){5|C<3>}	116.4440	0.000	1	116.4440	0.000	1	116.8577	0.976	37	116.7349	0.989	60	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:3:	3:3:	3:3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(NHH)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]N)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]N)	N[5a](N[5a]C[5a])2(NHH){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a]N){1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a]N){1|N<3>}	118.4570	0.328	2	118.4570	0.108	2	118.4570	0.108	2	116.7349	0.989	60	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:B-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(BN[5a]HH)	N[5a](N[5a]N[5a]B)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a]B)	N[5a](N[5a]C[5a])(N[5a]N[5a])(BN[5a]HH){1|C<4>}	N[5a](N[5a]N[5a]B)(N[5a]C[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]B)	112.3655	0.097	2	112.3655	0.009	2	112.3655	0.009	2	114.1664	0.356	44	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|H<1>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]C)	113.7758	0.104	4	113.7758	0.011	4	114.2521	0.207	42	114.1664	0.356	44	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	114.4774	0.620	7	114.4774	0.384	7	114.2521	0.207	42	114.1664	0.356	44	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCNN)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCNN){1|N<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	114.6660	0.000	1	114.6660	0.000	1	114.2521	0.207	42	114.1664	0.356	44	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5]HH)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5]HH){1|N<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	114.2293	0.166	8	114.2293	0.028	8	114.2521	0.207	42	114.1664	0.356	44	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|N<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	114.3153	0.039	3	114.3153	0.002	3	114.2521	0.207	42	114.1664	0.356	44	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|C<4>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]C)	113.9690	0.000	1	113.9690	0.000	1	114.2521	0.207	42	114.1664	0.356	44	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|H<1>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]C)	113.1125	0.598	2	113.1125	0.357	2	114.2521	0.207	42	114.1664	0.356	44	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<1>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<1>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	115.1200	0.000	1	114.4283	0.076	14	114.2521	0.207	42	114.1664	0.356	44	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<2>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	114.4003	0.251	7	114.4283	0.076	14	114.2521	0.207	42	114.1664	0.356	44	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	114.3457	0.125	6	114.4283	0.076	14	114.2521	0.207	42	114.1664	0.356	44	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHN)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHN){1|N<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	114.1000	0.000	1	114.1000	0.000	1	114.2521	0.207	42	114.1664	0.356	44	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:2:	3:3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHS)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]O)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHS){1|O<2>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|O<2>}	N[5a](C[5a]N[5a]O)(N[5a]N[5a]C)	114.4090	0.000	1	114.4090	0.000	1	114.2521	0.207	42	114.1664	0.356	44	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<2>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	113.7250	0.000	1	113.7250	0.000	1	113.9862	0.174	29	113.8276	0.551	31	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C){2|C<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	114.1590	0.000	1	114.1590	0.000	1	113.9862	0.174	29	113.8276	0.551	31	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	114.3045	0.343	2	114.3045	0.118	2	113.9862	0.174	29	113.8276	0.551	31	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<2>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	114.5370	0.000	1	114.1333	0.227	7	113.9862	0.174	29	113.8276	0.551	31	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	114.0660	0.484	6	114.1333	0.227	7	113.9862	0.174	29	113.8276	0.551	31	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	114.4440	0.000	1	114.4440	0.000	1	113.9862	0.174	29	113.8276	0.551	31	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	114.0167	0.395	3	114.0167	0.156	3	113.9862	0.174	29	113.8276	0.551	31	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]3)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]3){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	113.1970	0.305	2	113.1970	0.093	2	113.9862	0.174	29	113.8276	0.551	31	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	114.2090	0.249	2	114.2090	0.062	2	113.9862	0.174	29	113.8276	0.551	31	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HO)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HO){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	113.7060	0.000	1	113.7060	0.000	1	113.9862	0.174	29	113.8276	0.551	31	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C){2|C<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	113.9937	0.293	3	113.9937	0.086	3	113.9862	0.174	29	113.8276	0.551	31	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	113.6745	0.527	2	113.6745	0.278	2	113.9862	0.174	29	113.8276	0.551	31	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	113.9020	0.000	1	113.9020	0.000	1	113.9862	0.174	29	113.8276	0.551	31	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	114.1515	0.056	2	114.1515	0.003	2	113.9862	0.174	29	113.8276	0.551	31	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[6]HH)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[6]HH){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	113.6270	0.000	1	113.6270	0.000	1	113.9862	0.174	29	113.8276	0.551	31	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:2:	N[5a]-2:N[5a]-2:Si-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a])(N[5a]N[5a])(SiC3)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]Si)	N[5a](N[5a]N[5a]Si)(N[5a]C[5a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(SiC3){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]Si){2|N<2>}	N[5a](N[5a]N[5a]Si)(N[5a]C[5a]){1|C<3>}	111.5275	0.578	2	111.5275	0.334	2	111.5275	0.334	2	113.8276	0.551	31	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(BC[6a]2O)	N[5a](C[5a]C[5a]P)(N[5a]N[5a]B)	N[5a](C[5a]C[5a]P)(N[5a]N[5a]B)	N[5a](N[5a]C[5a])2(BC[6a]2O){2|P<4>}	N[5a](C[5a]C[5a]P)(N[5a]N[5a]B){1|P<4>}	N[5a](C[5a]C[5a]P)(N[5a]N[5a]B){1|P<4>}	114.9435	0.062	2	114.9435	0.004	2	114.9435	0.004	2	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CCHH)	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C){3|C<3>}	116.7883	0.363	4	116.7883	0.132	4	117.4046	0.238	20	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	117.4009	0.319	7	117.4792	0.101	9	117.4046	0.238	20	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){3|C<3>}	117.7535	0.052	2	117.4792	0.101	9	117.4046	0.238	20	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CC[5]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CC[5]CH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	118.0640	0.000	1	118.0640	0.000	1	117.4046	0.238	20	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CC[5a]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	117.4585	0.303	2	117.4585	0.092	2	117.4046	0.238	20	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CC[6a]CH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	117.9600	0.000	1	117.9600	0.000	1	117.4046	0.238	20	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CC[6a]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|C<3>,1|O<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]C){3|C<3>}	116.8170	0.000	1	116.8170	0.000	1	117.4046	0.238	20	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CH3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	117.9780	0.000	1	117.9780	0.000	1	117.4046	0.238	20	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a,6a])2(CH3){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]C){2|C<3>}	117.8900	0.000	1	117.8900	0.000	1	117.4046	0.238	20	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CCHH)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CCHH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C){1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<4>}	115.3910	0.000	1	115.3910	0.000	1	115.6364	0.344	29	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	115.6800	0.607	2	115.6800	0.368	2	115.6364	0.344	29	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CCHN)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CCHN){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	114.8310	0.000	1	114.8310	0.000	1	115.6364	0.344	29	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6]HH){1|C<2>,1|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|C<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|C<3>}	115.9860	0.000	1	115.9860	0.000	1	115.6364	0.344	29	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6a]CH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	115.6594	0.161	5	115.6594	0.026	5	115.6364	0.344	29	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6a]HH)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6a]HH){2|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a]C){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){3|C<3>}	115.7212	0.208	4	115.7212	0.043	4	115.6364	0.344	29	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CC[6a]HH){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|C<3>}	116.3340	0.195	2	116.3340	0.038	2	115.6364	0.344	29	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	115.6800	0.000	1	115.6800	0.000	1	115.6364	0.344	29	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CH3){2|C<3>}	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C){1|C<3>,2|N<2>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|C<3>}	116.1770	0.281	3	116.1770	0.079	3	115.6364	0.344	29	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CH3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|C<3>}	116.1590	0.000	1	116.1590	0.000	1	115.6364	0.344	29	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CH3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a]C){1|C<3>}	115.5420	0.000	1	115.5420	0.000	1	115.6364	0.344	29	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CH3){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a]C){1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a]C){1|N<3>}	116.5620	0.000	1	116.5620	0.000	1	115.6364	0.344	29	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]P)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]P)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CH3){2|P<4>}	N[5a](C[5a]C[5a]P)(N[5a]N[5a]C){1|P<4>}	N[5a](C[5a]C[5a]P)(N[5a]N[5a]C){1|P<4>}	116.1290	0.000	1	116.1290	0.000	1	115.6364	0.344	29	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CHHN)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CHHN){1|Br<1>,1|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|Br<1>,2|C<3>}	N[5a](C[5a]C[5a]Br)(N[5a]N[5a]C){1|C<3>}	114.8400	0.000	1	114.8400	0.000	1	115.6364	0.344	29	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](N[5a]C[5a])2(CHHN)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](N[5a]C[5a])2(CHHN){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	114.6490	0.255	4	114.6490	0.065	4	115.6364	0.344	29	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	2:2:4:	3:3:	3:3:	N[5a]-2:N[5a]-2:C[6]-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6]C[6]2N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[6])	N[5a](N[5a]C[5a,6a])2(C[6]C[6]2N){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[6]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[6]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.5260	0.000	1	117.5260	0.000	1	117.5260	0.000	1	116.3262	1.107	52	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<3>,1|N<2>}	113.6995	0.115	2	113.6995	0.013	2	113.6995	0.013	2	115.9395	6.767	4	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[6a]N[5a])(O[5a]C[5a]){1|O<1>,2|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O){2|C<3>}	118.1795	0.466	2	118.1795	0.217	2	118.1795	0.217	2	115.9395	6.767	4	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){4|C<3>}	N[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	113.3880	0.000	1	113.6032	0.037	6	113.6032	0.037	6	113.6101	0.031	7	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){4|C<3>}	N[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	113.6462	0.179	5	113.6032	0.037	6	113.6032	0.037	6	113.6101	0.031	7	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	N[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	113.6520	0.000	1	113.6520	0.000	1	113.6520	0.000	1	113.6101	0.031	7	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,5a])2	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,5a])2{1|O<2>,4|N<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]N[5a]){1|C<3>,1|O<2>,2|N<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]N[5a]){1|C<3>,1|O<2>,2|N<2>}	121.8130	0.000	1	121.8130	0.000	1	121.8130	0.000	1	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){5|C<3>}	115.3580	0.000	1	115.3580	0.000	1	115.3580	0.000	1	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){5|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	115.2150	0.000	1	115.2150	0.000	1	115.6211	0.140	23	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	115.5738	0.555	8	115.5738	0.308	8	115.6211	0.140	23	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|C<2>,4|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	115.8550	0.000	1	115.6554	0.057	10	115.6211	0.140	23	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){5|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	115.6332	0.242	9	115.6554	0.057	10	115.6211	0.140	23	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	115.4270	0.000	1	115.4270	0.000	1	115.6211	0.140	23	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2{1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){1|N<2>,2|C<3>}	115.9440	0.000	1	115.9440	0.000	1	115.6211	0.140	23	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2{2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,2|C<3>}	115.7775	0.187	2	115.7775	0.035	2	115.6211	0.140	23	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|H<1>,4|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2){1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){5|C<3>}	115.5390	0.000	1	115.5390	0.000	1	115.6610	0.030	2	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2{1|H<1>,4|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2){1|N<3>,2|C<3>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	115.7830	0.000	1	115.7830	0.000	1	115.6610	0.030	2	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{3|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	115.3440	0.000	1	115.3440	0.000	1	115.2388	0.243	30	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{3|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	114.8630	0.332	4	114.8630	0.110	4	115.2388	0.243	30	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Si)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|Si<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){1|Si<4>,2|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Si){3|C<3>}	115.5920	0.000	1	115.5920	0.000	1	115.2388	0.243	30	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5]){2|C<3>,2|H<1>,2|N<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	115.1120	0.000	1	115.1120	0.000	1	115.2388	0.243	30	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6]){1|N<3>,2|H<1>,3|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	115.2470	0.000	1	115.2470	0.000	1	115.2388	0.243	30	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	115.4723	0.465	3	115.1431	0.362	11	115.2388	0.243	30	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	115.2070	0.000	1	115.1431	0.362	11	115.2388	0.243	30	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,1|S<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	115.2280	0.000	1	115.1431	0.362	11	115.2388	0.243	30	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	115.7120	0.000	1	115.1431	0.362	11	115.2388	0.243	30	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|N<3>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	114.8020	0.697	5	115.1431	0.362	11	115.2388	0.243	30	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|I<1>,2|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I){1|H<1>,2|C<3>}	115.2397	0.230	3	115.2579	0.043	8	115.2388	0.243	30	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|C<3>,2|H<1>,2|I<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|I<1>,2|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I){1|H<1>,2|C<3>}	115.2688	0.219	5	115.2579	0.043	8	115.2388	0.243	30	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|S<2>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|S<2>,2|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S){1|H<1>,2|C<3>}	115.4370	0.000	1	115.4370	0.000	1	115.2388	0.243	30	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Ir)	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|Ir<6>,1|N<2>,2|C<3>,2|C<4>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Ir){1|N<2>,2|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N){1|Ir<6>,2|C<3>}	116.1720	0.440	2	116.1720	0.193	2	115.2388	0.243	30	115.5253	0.936	57	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	4:2:2:	3:3:	3:2:	C[6]-4:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])	N[5a](N[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]N[5a]C[6])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	113.5540	0.000	1	114.0295	0.452	2	114.0295	0.452	2	114.0295	0.452	2	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	4:2:2:	3:3:	3:2:	C[6]-4:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])	N[5a](N[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6]){1|H<1>,2|C<3>,2|C<4>}	N[5a](N[5a]N[5a]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	114.5050	0.000	1	114.0295	0.452	2	114.0295	0.452	2	114.0295	0.452	2	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	4:2:2:	3:3:	3:3:	C[5,5]-4:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]C[6a])	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]H)	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]H){2|C<3>,2|C<4>}	115.7490	0.000	1	115.5205	0.104	2	115.5205	0.104	2	115.3260	0.452	8	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	4:2:2:	3:3:	3:3:	C[5,5]-4:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]C[6a])	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]H)	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]H){2|C<3>,2|C<4>}	115.2920	0.000	1	115.5205	0.104	2	115.5205	0.104	2	115.3260	0.452	8	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	4:2:2:	3:3:	3:3:	C[5]-4:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[5]C[5,5]C[5]H)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])	N[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)	N[5a](C[5]C[5,5]C[5]H)(N[5a]C[5a])2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	115.8660	0.000	1	115.8660	0.000	1	115.8505	0.000	2	115.3260	0.452	8	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	4:2:2:	3:3:	3:3:	C[5]-4:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[5]C[5]N[5]H)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])	N[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)	N[5a](C[5]C[5]N[5]H)(N[5a]C[5a])2{1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	115.8350	0.000	1	115.8350	0.000	1	115.8505	0.000	2	115.3260	0.452	8	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	4:2:2:	3:3:	3:3:	C[6]-4:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6]C[5,6]C[6]H)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])	N[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)	N[5a](C[6]C[5,6]C[6]H)(N[5a]C[5a])2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	114.8033	0.894	3	114.8033	0.799	3	114.9665	0.639	4	115.3260	0.452	8	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	4:2:2:	3:3:	3:3:	C[6]-4:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:	N[5a](C[6]C[6]2H)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])	N[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)	N[5a](C[6]C[6]2H)(N[5a]C[5a])2{1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	115.4560	0.000	1	115.4560	0.000	1	114.9665	0.639	4	115.3260	0.452	8	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	6:2:2:	3:2:	3:3:	Si[5]-6:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a])	N[5a](N[5a]N[5a]Si[5])(C[5a]N[5a]C)	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|N<2>,5|C<3>}	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a]){1|C<4>,2|N<2>,3|N<3>}	N[5a](N[5a]N[5a]Si[5])(C[5a]N[5a]C){2|N<2>,3|N<3>}	111.6300	0.000	1	111.5860	0.004	2	111.5860	0.004	2	111.5860	0.004	2	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	6:2:2:	3:2:	3:3:	Si[5]-6:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a])	N[5a](N[5a]N[5a]Si[5])(C[5a]N[5a]C)	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|N<2>,4|C<3>}	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a]){1|C<4>,2|N<2>,3|N<3>}	N[5a](N[5a]N[5a]Si[5])(C[5a]N[5a]C){2|N<2>,3|N<3>}	111.5420	0.000	1	111.5860	0.004	2	111.5860	0.004	2	111.5860	0.004	2	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	6:2:2:	3:3:	3:2:	Si[5]-6:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5])	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a])	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5]){2|C<3>,2|N<2>,3|N<3>}	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a]){1|C<3>,2|N<2>,3|N<3>}	111.4023	0.305	4	111.4023	0.093	4	111.4158	0.101	6	111.4158	0.101	6	115.2318	2.875	350	115.2318	2.875	350
813	519	519	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	6:2:2:	3:3:	3:2:	Si[5]-6:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5])	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a])	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5]){2|C<3>,2|N<2>,3|N<3>}	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a]){1|C<3>,2|N<2>,3|N<3>}	111.4430	0.471	2	111.4430	0.222	2	111.4158	0.101	6	111.4158	0.101	6	115.2318	2.875	350	115.2318	2.875	350
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	2:2:4:	3:2:	3:3:1:1:	N[5a]-2:N[5a]-2:B-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a](N[5a]C[5a])(N[5a]N[5a])(BN[5a]HH)	N[5a](N[5a]N[5a]B)(N[5a]C[5a])	B(N[5a]N[5a]2)2(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(BN[5a]HH){1|C<4>}	N[5a](N[5a]N[5a]B)(N[5a]C[5a]){1|C<4>}	B(N[5a]N[5a]2)2(H)2	123.6615	0.383	2	123.6615	0.146	2	123.6615	0.146	2	123.6615	0.146	2	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	2:2:4:	3:3:	3:3:1:1:	N[5a]-2:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a](N[5a]C[5a])(N[5a]N[5a])(BN[5a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]B)	B(N[5a]N[5a]2)2(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(BN[5a]HH){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]B)	B(N[5a]N[5a]2)2(H)2	123.8500	0.581	2	123.8500	0.338	2	123.8500	0.338	2	123.8500	0.338	2	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	2:2:4:	3:3:	3:3:3:2:	N[5a]-2:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:O-2:	N[5a](N[5a]C[5a])2(BC[6a]2O)	N[5a](C[5a]C[5a]P)(N[5a]N[5a]B)	B(C[6a]C[6a]2)2(N[5a]N[5a]2)(OP)	N[5a](N[5a]C[5a])2(BC[6a]2O){2|P<4>}	N[5a](C[5a]C[5a]P)(N[5a]N[5a]B){1|P<4>}	B(C[6a]C[6a]2)2(N[5a]N[5a]2)(OP)	122.4390	1.986	4	122.4390	3.943	4	122.4390	3.943	4	122.4390	3.943	4	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:2:	3:2:1:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-2:	N[5a]-3:C-2:H-1:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BCHH)	N[5a](N[5a]C[5a]B)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])(CN)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BCHH){1|H<1>}	N[5a](N[5a]C[5a]B)(N[5a]C[5a]){2|H<1>}	B(N[5a]C[5a]N[5a])(CN)(H)2	122.4210	0.000	1	122.4210	0.000	1	122.4210	0.000	1	122.4210	0.000	1	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:2:	3:3:1:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5]-3:H-1:H-1:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(BC[5]HH)	N[5a](N[5a]C[5a]B)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(BC[5]HH){1|C<3>}	N[5a](N[5a]C[5a]B)(N[5a]C[5a]){1|C<3>,1|C<4>}	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	119.5470	0.000	1	119.5470	0.000	1	119.7832	1.449	4	119.7832	1.449	4	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:2:	3:3:1:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5]-3:H-1:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(BC[5]HH)	N[5a](N[5a]C[5a]B)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(BC[5]HH){3|C<3>}	N[5a](N[5a]C[5a]B)(N[5a]C[5a]){2|C<3>}	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	118.2670	0.000	1	118.2670	0.000	1	119.7832	1.449	4	119.7832	1.449	4	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:2:	3:3:1:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5]-3:H-1:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BC[5]HH)	N[5a](N[5a]C[5a]B)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BC[5]HH){1|C<3>}	N[5a](N[5a]C[5a]B)(N[5a]C[5a]){1|C<3>,1|H<1>}	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	121.1380	0.000	1	121.1380	0.000	1	119.7832	1.449	4	119.7832	1.449	4	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:2:	3:3:1:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5]-3:H-1:H-1:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(BC[5]HH)	N[5a](N[5a]C[5a]B)(N[5a]N[5a])	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(BC[5]HH)	N[5a](N[5a]C[5a]B)(N[5a]N[5a]){1|C<4>}	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	120.1810	0.000	1	120.1810	0.000	1	119.7832	1.449	4	119.7832	1.449	4	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:B-4:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B){1|F<1>,3|C<3>}	B(N[5a]C[5a]N[5a])2(H)2	118.5290	1.184	2	118.5290	1.401	2	118.5290	1.401	2	120.1753	3.121	18	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5]-3:H-1:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	117.8450	0.000	1	117.8450	0.000	1	120.0200	9.871	3	120.1753	3.121	18	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5]-3:H-1:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B){1|Fe<10>,1|H<1>,3|C<4>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	118.5930	0.000	1	118.5930	0.000	1	120.0200	9.871	3	120.1753	3.121	18	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5]-3:H-1:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5]HH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B){1|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	123.6220	0.000	1	123.6220	0.000	1	120.0200	9.871	3	120.1753	3.121	18	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])2(H)2	119.2900	0.000	1	119.2900	0.000	1	120.4644	2.111	13	120.1753	3.121	18	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<3>,1|N<2>,2|H<1>}	B(N[5a]C[5a]N[5a])2(H)2	120.8045	0.930	2	121.3220	0.872	4	120.4644	2.111	13	120.1753	3.121	18	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){2|C<3>,2|H<1>}	B(N[5a]C[5a]N[5a])2(H)2	121.8395	0.825	2	121.3220	0.872	4	120.4644	2.111	13	120.1753	3.121	18	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B){1|H<1>}	B(N[5a]C[5a]N[5a])2(H)2	122.6835	0.651	2	122.6835	0.424	2	120.4644	2.111	13	120.1753	3.121	18	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])2(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(BN[5a]HH){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]B){1|N<3>}	B(N[5a]C[5a]N[5a])2(H)2	119.3487	0.360	6	119.3487	0.130	6	120.4644	2.111	13	120.1753	3.121	18	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a,6a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]B)	B(N[5a]C[5a,6a]N[5a])3(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|F<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]B){2|C<3>}	B(N[5a]C[5a,6a]N[5a])3(H)	117.8073	1.011	6	117.8073	1.022	6	120.0035	3.650	17	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a,6a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)	B(N[5a]C[5a,6a]N[5a])2(N[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|F<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B){4|C<3>}	B(N[5a]C[5a,6a]N[5a])2(N[5a]C[5a]N[5a])(H)	121.6555	0.808	2	121.6555	0.653	2	120.0035	3.650	17	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a,6a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)	B(N[5a]C[5a,6a]N[5a])3(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|F<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B){4|C<3>}	B(N[5a]C[5a,6a]N[5a])3(H)	121.1004	0.962	9	121.1004	0.926	9	120.0035	3.650	17	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)	B(N[5a]C[5a,6a]N[5a])2(N[5a]C[5a]N[5a])(H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]2H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B){1|F<1>,3|C<3>}	B(N[5a]C[5a,6a]N[5a])2(N[5a]C[5a]N[5a])(H)	122.2880	0.000	1	122.2880	0.000	1	122.2880	0.000	1	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5]-3:N[5]-3:H-1:	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(BN[5]2H){2|Br<1>}	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]B){2|Br<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	121.6090	0.000	1	121.6090	0.000	1	119.8250	9.591	48	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5]-3:N[5]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	118.1011	2.296	23	118.0258	5.181	24	119.8250	9.591	48	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5]-3:N[5]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|Cl<1>,1|C<4>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	116.2940	0.000	1	118.0258	5.181	24	119.8250	9.591	48	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5]-3:N[5]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<4>,1|H<1>,2|C<3>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	118.7573	2.568	7	118.7573	6.593	7	119.8250	9.591	48	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5]-3:N[5]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|Br<1>,1|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	122.8920	0.000	1	122.8920	0.000	1	119.8250	9.591	48	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5]-3:N[5]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])(N[5]C[5]2)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]2)2(H)	124.3494	1.189	5	124.3494	1.414	5	119.8250	9.591	48	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5]-3:N[5]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	123.2192	1.117	6	123.2192	1.249	6	119.8250	9.591	48	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5]-3:N[5]-3:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]B){1|C<4>,2|C<3>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	118.5260	0.000	1	118.5260	0.000	1	119.8250	9.591	48	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5]-3:N[5]-3:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]B){1|C<4>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	121.1967	1.248	3	121.1967	1.559	3	119.8250	9.591	48	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[3x6]C[5a])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[3x6]C[5a])(N[5a]C[5a]B){1|H<1>,4|C<4>}	B(N[5a]C[5a]N[5a])3(H)	121.6393	1.319	3	121.6393	1.740	3	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|Br<1>,1|C<4>}	B(N[5a]C[5a]N[5a])3(H)	120.7520	0.905	3	121.0461	1.592	17	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])3(H)	121.2080	1.823	6	121.0461	1.592	17	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])3(H)	121.0350	0.985	8	121.0461	1.592	17	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B){1|Fe<10>,1|H<1>,3|C<4>}	B(N[5a]C[5a]N[5a])3(H)	121.1465	1.465	6	121.1465	2.146	6	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|Br<1>,1|C<4>,2|C<3>}	B(N[5a]C[5a]N[5a])3(H)	121.6575	0.021	2	121.1804	1.131	18	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<4>,1|H<1>,2|C<3>}	B(N[5a]C[5a]N[5a])3(H)	121.1208	1.117	16	121.1804	1.131	18	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H){1|Fe<10>,1|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])3(H)	118.9110	0.000	1	118.9110	0.000	1	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H){1|Fe<10>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])3(H)	119.5120	0.000	1	119.5120	0.000	1	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){2|Br<1>,2|C<3>}	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]B){1|Br<1>,1|C<3>}	B(N[5a]C[5a]N[5a])3(H)	120.8250	0.559	3	120.8250	0.312	3	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<3>,1|H<1>}	B(N[5a]C[5a]N[5a])3(H)	122.2110	0.000	1	122.2110	0.000	1	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<2>,1|H<1>}	B(N[5a]C[5a]N[5a])3(H)	125.8060	0.000	1	123.0261	2.706	7	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	B(N[5a]C[5a]N[5a])3(H)	122.0730	1.282	3	123.0261	2.706	7	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	B(N[5a]C[5a]N[5a])3(H)	123.0527	1.117	3	123.0261	2.706	7	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B){1|Fe<10>,2|C<4>,2|H<1>}	B(N[5a]C[5a]N[5a])3(H)	122.8812	1.343	5	122.8812	1.805	5	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|Br<1>,1|H<1>,2|C<3>}	B(N[5a]C[5a]N[5a])3(H)	124.2180	1.320	3	123.4106	2.224	19	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<2>,1|H<1>,2|C<3>}	B(N[5a]C[5a]N[5a])3(H)	123.9947	0.013	3	123.4106	2.224	19	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<3>,1|N<2>,2|H<1>}	B(N[5a]C[5a]N[5a])3(H)	122.5100	0.705	4	123.4106	2.224	19	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){2|C<3>,2|H<1>}	B(N[5a]C[5a]N[5a])3(H)	123.3470	1.897	9	123.4106	2.224	19	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	B(N[5a]C[5a]N[5a])3(H)	120.9432	4.028	6	120.9432	16.224	6	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B){1|H<1>}	B(N[5a]C[5a]N[5a])3(H)	123.1117	2.102	3	123.1117	4.419	3	121.8813	3.634	90	121.0466	6.368	156	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:3:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5]-3:N[5]-3:N[5]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]3){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])3	121.6393	2.776	6	121.6393	7.705	6	121.6393	7.705	6	121.2608	5.972	10	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:3:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])4	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){2|C<3>,2|H<1>}	B(N[5a]C[5a]N[5a])4	120.6930	2.087	4	120.6930	4.357	4	120.6930	4.357	4	121.2608	5.972	10	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])3(CH3)	118.4290	2.015	3	118.4290	4.061	3	121.1028	6.200	8	121.1028	6.200	8	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:2:4:	3:3:	3:3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	B(N[5a]C[5a]N[5a])3(CH3)	122.7070	0.490	5	122.7070	0.240	5	121.1028	6.200	8	121.1028	6.200	8	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	3:4:2:	3:3:	3:3:4:1:	C[5a]-3:B-4:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5]-3:C[5]-4:H-1:	N[5a](C[5a]C[5a]H)(BC[5]N[5]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)	N[5a](C[5a]C[5a]H)(BC[5]N[5]H)(N[5a]C[5a]){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){1|H<1>,1|I<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)	121.4240	0.000	1	121.4240	0.000	1	121.4240	0.000	1	121.4240	0.000	1	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	4:3:2:	3:3:	3:3:3:1:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5]-3:H-1:	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	4:3:2:	3:3:	3:3:3:3:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5]-3:C[6a]-3:	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(C[6a]C[6a]2)	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(C[6a]C[6a]2)	120.3530	0.151	2	120.3530	0.023	2	120.3530	0.023	2	120.3143	2.351	26	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	4:3:2:	3:3:	3:3:3:3:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5]-3:N[5]-3:	N[5a](BN[5a]N[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])2	N[5a](BN[5a]N[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])2	120.1933	1.628	18	120.1933	2.651	18	120.1933	2.651	18	120.3143	2.351	26	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	4:3:2:	3:3:	3:3:3:3:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:C[6a]-3:	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	B(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	121.1533	0.285	3	121.1533	0.081	3	120.6645	2.539	6	120.3143	2.351	26	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	4:3:2:	3:3:	3:3:3:3:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:C[6a]-3:	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B){1|Fe<10>,2|C<4>,2|H<1>}	B(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	120.1757	2.356	3	120.1757	5.549	3	120.6645	2.539	6	120.3143	2.351	26	120.9807	5.461	239	120.9807	5.461	239
813	519	610	0:SP2_SP2_SP3	N[5a]	N[5a]	B	4:3:2:	3:3:	3:3:3:4:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:C[5]-4:	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3(C[5]C[5]2Fe)	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	B(N[5a]C[5a]N[5a])3(C[5]C[5]2Fe)	121.7612	1.451	6	121.7612	2.106	6	121.7612	2.106	6	121.7612	2.106	6	120.9807	5.461	239	120.9807	5.461	239
813	519	622	0:SP2_SP2_SP3	N[5a,6]	N[5a]	O[6]	3:2:2:	3:2:	3:4:	C[5a,6]-3:N[5a]-2:O[6]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-4:	N[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(O[6]C[6])	N[5a](N[5a,6]C[5a,6]O[6])(N[5a]N[5a])	O[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)	N[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(O[6]C[6]){1|C<3>,1|H<1>,3|C<4>}	N[5a](N[5a,6]C[5a,6]O[6])(N[5a]N[5a]){2|C<4>}	O[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC){1|C<4>,2|H<1>,2|N<2>}	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1
813	519	643	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]){4|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	123.7480	0.000	1	123.7480	0.000	1	123.7278	0.355	5	123.7278	0.355	5	123.2909	4.202	15	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]){1|N<3>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	123.3470	0.000	1	123.1800	0.056	2	123.7278	0.355	5	123.7278	0.355	5	123.2909	4.202	15	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	123.0130	0.000	1	123.1800	0.056	2	123.7278	0.355	5	123.7278	0.355	5	123.2909	4.202	15	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]N[5a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<2>,3|H<1>}	124.5690	0.000	1	124.5690	0.000	1	123.7278	0.355	5	123.7278	0.355	5	123.2909	4.202	15	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]S[6])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]S[6])(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]){1|S<2>,2|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	123.9620	0.000	1	123.9620	0.000	1	123.7278	0.355	5	123.7278	0.355	5	123.2909	4.202	15	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6]-3:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.6400	0.000	1	120.6400	0.000	1	120.6400	0.000	1	123.0725	6.220	10	123.2909	4.202	15	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.0170	0.000	1	121.0170	0.000	1	121.9275	0.558	6	123.0725	6.220	10	123.2909	4.202	15	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	122.4680	0.000	1	122.4680	0.000	1	121.9275	0.558	6	123.0725	6.220	10	123.2909	4.202	15	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	122.1180	0.000	1	121.6843	0.142	3	121.9275	0.558	6	123.0725	6.220	10	123.2909	4.202	15	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.5020	0.000	1	121.6843	0.142	3	121.9275	0.558	6	123.0725	6.220	10	123.2909	4.202	15	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	121.4330	0.000	1	121.6843	0.142	3	121.9275	0.558	6	123.0725	6.220	10	123.2909	4.202	15	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.0270	0.000	1	123.0270	0.000	1	121.9275	0.558	6	123.0725	6.220	10	123.2909	4.202	15	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]){1|O<2>,3|H<1>,4|C<3>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	123.5980	0.000	1	123.5980	0.000	1	126.1733	5.281	3	123.0725	6.220	10	123.2909	4.202	15	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	128.0150	0.000	1	128.0150	0.000	1	126.1733	5.281	3	123.0725	6.220	10	123.2909	4.202	15	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]S)	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]S){1|N<3>,2|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	126.9070	0.000	1	126.9070	0.000	1	126.1733	5.281	3	123.0725	6.220	10	123.2909	4.202	15	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6,6a]-3:C[6,6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	126.6750	0.502	3	126.6750	0.252	3	126.5959	0.151	7	126.5959	0.151	7	125.9798	0.713	12	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6,6a]-3:C[6,6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	126.5365	0.350	4	126.5365	0.122	4	126.5959	0.151	7	126.5959	0.151	7	125.9798	0.713	12	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	125.0690	0.000	1	124.9325	0.037	2	125.1172	0.142	5	125.1172	0.142	5	125.9798	0.713	12	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	124.7960	0.000	1	124.9325	0.037	2	125.1172	0.142	5	125.1172	0.142	5	125.9798	0.713	12	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,2|C<3>,4|C<4>}	124.9775	0.028	2	125.2403	0.208	3	125.1172	0.142	5	125.1172	0.142	5	125.9798	0.713	12	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	125.7660	0.000	1	125.2403	0.208	3	125.1172	0.142	5	125.1172	0.142	5	125.9798	0.713	12	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|N<2>,3|C<3>}	123.2140	0.000	1	123.2140	0.000	1	123.2140	0.000	1	125.1104	1.632	23	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]){4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	122.8015	0.033	2	124.0906	0.668	9	125.2598	1.515	21	125.1104	1.632	23	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	124.4589	0.422	7	124.0906	0.668	9	125.2598	1.515	21	125.1104	1.632	23	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]){1|C<2>,1|N<2>,2|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	125.6800	0.000	1	125.9255	0.121	2	125.2598	1.515	21	125.1104	1.632	23	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]){1|C<2>,1|N<2>,2|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	126.1710	0.000	1	125.9255	0.121	2	125.2598	1.515	21	125.1104	1.632	23	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]){3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	126.5610	0.035	2	126.1789	0.356	10	125.2598	1.515	21	125.1104	1.632	23	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]){3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	126.5155	0.112	2	126.1789	0.356	10	125.2598	1.515	21	125.1104	1.632	23	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]){3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	125.3750	0.448	2	126.1789	0.356	10	125.2598	1.515	21	125.1104	1.632	23	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]){3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	125.3440	0.000	1	126.1789	0.356	10	125.2598	1.515	21	125.1104	1.632	23	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]){3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	126.7250	0.000	1	126.1789	0.356	10	125.2598	1.515	21	125.1104	1.632	23	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]){3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	126.4085	0.282	2	126.1789	0.356	10	125.2598	1.515	21	125.1104	1.632	23	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:O[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	123.8700	0.000	1	123.8700	0.000	1	123.8700	0.000	1	125.1104	1.632	23	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.8270	0.000	1	121.8270	0.000	1	121.8270	0.000	1	125.8308	5.806	12	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O){1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	125.0320	0.000	1	125.0320	0.000	1	125.0320	0.000	1	125.8308	5.806	12	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]){1|C<4>,1|N<3>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<2>,2|H<1>,4|C<3>}	122.3770	0.000	1	122.3770	0.000	1	122.3770	0.000	1	125.8308	5.806	12	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	128.6430	0.000	1	128.6430	0.000	1	128.6430	0.000	1	125.8308	5.806	12	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.3950	0.000	1	122.3950	0.000	1	126.5113	3.379	8	125.8308	5.806	12	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C){1|N<2>,2|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	127.9675	0.016	2	127.9675	0.000	2	126.5113	3.379	8	125.8308	5.806	12	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	127.8510	0.000	1	127.8510	0.000	1	126.5113	3.379	8	125.8308	5.806	12	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O)	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O){1|N<3>,2|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	126.7890	0.000	1	126.7890	0.000	1	126.5113	3.379	8	125.8308	5.806	12	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S)	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|H<1>,1|S<4>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S){1|N<2>,2|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>,2|N<2>}	125.7760	0.000	1	126.3733	0.270	3	126.5113	3.379	8	125.8308	5.806	12	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S)	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S){1|N<3>,2|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	126.7230	0.000	1	126.3733	0.270	3	126.5113	3.379	8	125.8308	5.806	12	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S)	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|S<4>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S){1|N<3>,2|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	126.6210	0.000	1	126.3733	0.270	3	126.5113	3.379	8	125.8308	5.806	12	125.3574	3.055	35	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	120.3900	0.000	1	120.3900	0.000	1	122.7500	2.483	4	122.2226	3.253	5	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.5367	0.105	3	123.5367	0.011	3	122.7500	2.483	4	122.2226	3.253	5	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	120.1130	0.000	1	120.1130	0.000	1	120.1130	0.000	1	122.2226	3.253	5	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	121.7910	0.000	1	121.7910	0.000	1	124.3483	3.168	4	124.3483	3.168	4	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	125.1820	0.000	1	124.8830	0.179	2	124.3483	3.168	4	124.3483	3.168	4	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|I<1>,1|N<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	124.5840	0.000	1	124.8830	0.179	2	124.3483	3.168	4	124.3483	3.168	4	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a]){1|N<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	125.8360	0.000	1	125.8360	0.000	1	124.3483	3.168	4	124.3483	3.168	4	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){1|C<3>,1|N<3>,2|N<2>}	126.3220	0.922	3	126.3220	0.850	3	126.5895	0.853	4	126.5895	0.853	4	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,2|N<2>}	127.3920	0.000	1	127.3920	0.000	1	126.5895	0.853	4	126.5895	0.853	4	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:S-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]S)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]S)(N[5a]N[5a]){1|C<3>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|S<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,2|N<2>}	127.4200	0.000	1	127.4200	0.000	1	127.4200	0.000	1	127.4200	0.000	1	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	125.9120	0.000	1	125.9120	0.000	1	125.9120	0.000	1	126.6265	1.021	2	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]N[5a]){1|C<3>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,2|N<2>}	127.3410	0.000	1	127.3410	0.000	1	127.3410	0.000	1	126.6265	1.021	2	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:C-4:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(N[5a]N[5a]){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<3>,2|N<2>}	125.7375	0.136	2	125.7375	0.019	2	125.7375	0.019	2	125.7375	0.019	2	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]O)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]O)(N[5a]N[5a]){3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	125.5060	0.000	1	125.5060	0.000	1	125.5060	0.000	1	125.7485	1.681	15	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.8130	0.113	2	124.8968	0.040	6	125.9280	2.034	11	125.7485	1.681	15	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	124.9387	0.237	4	124.8968	0.040	6	125.9280	2.034	11	125.7485	1.681	15	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|O<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|N<2>}	126.1970	1.083	2	126.1970	1.174	2	125.9280	2.034	11	125.7485	1.681	15	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<2>,1|C<3>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	127.2120	0.000	1	127.2645	0.006	2	125.9280	2.034	11	125.7485	1.681	15	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	127.3170	0.000	1	127.2645	0.006	2	125.9280	2.034	11	125.7485	1.681	15	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|N<2>}	128.9040	0.000	1	128.9040	0.000	1	125.9280	2.034	11	125.7485	1.681	15	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:I-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a]){1|C<2>,1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|C<2>,1|I<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,2|C<3>}	125.7890	0.000	1	125.7160	0.011	2	125.7160	0.011	2	125.7485	1.681	15	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:I-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a]){1|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,2|C<3>}	125.6430	0.000	1	125.7160	0.011	2	125.7160	0.011	2	125.7485	1.681	15	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,2|N<2>}	124.0820	0.000	1	124.0820	0.000	1	124.0820	0.000	1	125.7485	1.681	15	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	124.9920	0.000	1	124.9920	0.000	1	125.3906	5.292	5	124.4747	2.596	13	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|C<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	124.7670	0.000	1	124.1877	0.305	3	125.3906	5.292	5	124.4747	2.596	13	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	123.6680	0.000	1	124.1877	0.305	3	125.3906	5.292	5	124.4747	2.596	13	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	124.1280	0.000	1	124.1877	0.305	3	125.3906	5.292	5	124.4747	2.596	13	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	129.3980	0.000	1	129.3980	0.000	1	125.3906	5.292	5	124.4747	2.596	13	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<2>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH){1|N<2>,3|C<3>}	122.7470	0.000	1	123.0550	0.190	2	123.5953	0.971	3	124.4747	2.596	13	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH){1|N<2>,3|C<3>}	123.3630	0.000	1	123.0550	0.190	2	123.5953	0.971	3	124.4747	2.596	13	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|O<1>,2|N<2>}	124.6760	0.000	1	124.6760	0.000	1	123.5953	0.971	3	124.4747	2.596	13	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:P-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|P<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6]2){1|H<1>,1|N<2>,2|C<3>}	124.5620	0.000	1	124.5620	0.000	1	124.0864	0.193	5	124.4747	2.596	13	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:P-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|P<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	123.9705	0.629	2	123.9675	0.164	4	124.0864	0.193	5	124.4747	2.596	13	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:P-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|P<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	123.7460	0.000	1	123.9675	0.164	4	124.0864	0.193	5	124.4747	2.596	13	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:P-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|P<3>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	124.1830	0.000	1	123.9675	0.164	4	124.0864	0.193	5	124.4747	2.596	13	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){2|C<3>,2|N<2>}	126.0520	0.000	1	126.0520	0.000	1	126.9550	1.631	2	126.9550	1.631	2	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<3>,1|O<1>,2|N<2>}	127.8580	0.000	1	127.8580	0.000	1	126.9550	1.631	2	126.9550	1.631	2	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){1|N<2>,1|S<2>,2|C<3>}	125.3040	0.000	1	125.3040	0.000	1	126.7050	5.394	3	126.7880	3.624	4	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){1|N<2>,1|N<3>,2|C<3>}	125.4250	0.000	1	125.4250	0.000	1	126.7050	5.394	3	126.7880	3.624	4	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,2|C<3>,2|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,2|N<2>}	129.3860	0.000	1	129.3860	0.000	1	126.7050	5.394	3	126.7880	3.624	4	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:O-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){2|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|O<1>,2|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(O){1|C<3>,1|O<1>,2|N<2>}	127.0370	0.000	1	127.0370	0.000	1	127.0370	0.000	1	126.7880	3.624	4	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:O-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|N<2>,1|O<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,2|C<3>}	128.1010	0.486	2	128.1010	0.237	2	128.1010	0.237	2	128.1010	0.237	2	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	126.6660	0.000	1	126.6660	0.000	1	126.6660	0.000	1	126.6681	4.755	9	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NCH)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NCH){2|C<3>,2|N<2>}	125.5435	0.275	2	125.5435	0.076	2	126.6684	5.434	8	126.6681	4.755	9	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NHH)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NHH){2|C<3>,2|N<2>}	124.5460	0.000	1	124.5460	0.000	1	126.6684	5.434	8	126.6681	4.755	9	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCH)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCH){4|C<3>}	123.5770	0.000	1	123.5770	0.000	1	126.6684	5.434	8	126.6681	4.755	9	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,2|C<3>,2|N<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>}	130.7210	0.000	1	130.7210	0.000	1	126.6684	5.434	8	126.6681	4.755	9	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|C<3>,2|N<3>}	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>}	128.3660	0.000	1	128.2190	0.043	2	126.6684	5.434	8	126.6681	4.755	9	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,2|C<3>,2|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,2|N<2>}	128.0720	0.000	1	128.2190	0.043	2	126.6684	5.434	8	126.6681	4.755	9	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|N<3>,2|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,3|N<2>}	126.9780	0.000	1	126.9780	0.000	1	126.6684	5.434	8	126.6681	4.755	9	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]N[5a])(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|N<2>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]N[5a])(O){1|C<3>,2|N<2>,2|N<3>}	122.7590	0.000	1	122.7590	0.000	1	122.7590	0.000	1	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<3>,4|C<3>}	123.2230	0.000	1	123.2230	0.000	1	121.7960	4.073	2	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a]){1|S<2>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S){1|C<3>,1|N<2>,1|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	120.3690	0.000	1	120.3690	0.000	1	121.7960	4.073	2	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5,6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[5,6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|S<2>,1|S<4>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|O<1>}	124.6210	0.000	1	124.6210	0.000	1	124.6210	0.000	1	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:Cl-1:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,2|C<3>}	127.1650	0.000	1	127.1650	0.000	1	126.6550	0.520	2	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:Cl-1:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|C<2>,1|C<3>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,2|C<3>}	126.1450	0.000	1	126.1450	0.000	1	126.6550	0.520	2	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.4863	0.371	3	123.4863	0.137	3	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	123.9810	0.000	1	124.5500	0.648	2	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){4|C<3>}	125.1190	0.000	1	124.5500	0.648	2	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.7610	0.000	1	124.1197	0.233	7	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.3790	0.000	1	124.1197	0.233	7	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|F<1>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|F<1>,1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.3100	0.000	1	124.1197	0.233	7	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.4830	0.000	2	124.1197	0.233	7	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.1790	0.000	1	124.1197	0.233	7	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){4|C<3>}	124.2430	0.000	1	124.1197	0.233	7	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.1385	0.074	2	123.3420	0.127	3	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){4|C<3>}	123.7490	0.000	1	123.3420	0.127	3	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>,2|S<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){1|H<1>,1|S<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	124.1370	0.000	1	124.1370	0.000	1	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	125.2400	0.000	1	125.2400	0.000	1	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	125.0930	0.081	2	125.0930	0.006	2	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|N<2>,5|C<3>}	125.6100	0.000	1	125.6100	0.000	1	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	126.2500	0.000	1	126.2500	0.000	1	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	126.9120	0.979	2	126.9120	0.958	2	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]I)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,2|C<3>}	126.3920	0.000	1	126.3920	0.000	1	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	126.1377	0.626	4	126.1377	0.391	4	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,3|C<3>}	126.2450	0.082	2	126.2450	0.007	2	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	126.1830	1.195	2	126.1830	1.428	2	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	127.6770	0.000	1	127.6770	0.000	1	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|N<2>}	128.0550	0.000	1	127.8137	0.075	3	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|N<2>}	127.8710	0.000	1	127.8137	0.075	3	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	127.5150	0.000	1	127.8137	0.075	3	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|N<2>}	127.4080	0.000	1	127.4080	0.000	1	125.3512	2.291	37	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(O)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(O){1|C<4>,1|N<3>,2|C<3>}	123.7430	0.000	1	123.7430	0.000	1	124.1421	4.315	17	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|O<2>,3|C<3>}	124.8110	0.710	2	124.8110	0.504	2	124.1421	4.315	17	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|O<2>,3|C<3>}	124.9940	0.000	1	124.9940	0.000	1	124.1421	4.315	17	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	126.1233	0.762	3	126.1233	0.580	3	124.1421	4.315	17	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,2|N<2>}	126.2650	0.000	1	126.3320	0.009	2	124.1421	4.315	17	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	126.3990	0.000	1	126.3320	0.009	2	124.1421	4.315	17	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	124.8805	0.169	2	124.8805	0.029	2	124.1421	4.315	17	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|O<1>,1|S<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|N<2>,1|S<2>,2|C<3>}	122.7330	0.000	1	122.7330	0.000	1	124.1421	4.315	17	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|O<1>,1|S<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|N<2>,1|S<2>,2|C<3>}	123.4910	0.000	1	123.4910	0.000	1	124.1421	4.315	17	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|O<1>,1|S<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|N<2>,1|S<2>,2|C<3>}	123.5980	0.000	1	123.5980	0.000	1	124.1421	4.315	17	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|N<2>,1|O<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	120.4180	0.355	2	120.4180	0.126	2	124.1421	4.315	17	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|C<3>,1|N<2>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	120.6030	0.000	1	120.6030	0.000	1	124.1421	4.315	17	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|C<4>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	118.4900	0.000	1	118.4900	0.000	1	119.9242	1.228	5	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	119.5420	0.000	1	119.5420	0.000	1	119.9242	1.228	5	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O){4|C<3>}	119.8610	0.000	1	119.8610	0.000	1	119.9242	1.228	5	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,1|P<4>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){1|N<3>,1|O<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O){4|C<3>}	120.1790	0.000	1	120.1790	0.000	1	119.9242	1.228	5	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C[5])(O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,3|C<4>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	121.5490	0.000	1	121.5490	0.000	1	119.9242	1.228	5	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.1370	0.000	1	123.1370	0.000	1	123.1370	0.000	1	124.4765	4.976	66	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,3|C<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|C<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN){1|N<2>,1|N<3>,2|C<3>}	124.4020	0.000	1	124.4020	0.000	1	124.6735	0.147	2	126.4021	4.708	7	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CC)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CC){1|H<1>,1|N<2>,4|C<3>}	124.9450	0.000	1	124.9450	0.000	1	124.6735	0.147	2	126.4021	4.708	7	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|N<2>,3|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NH){1|N<2>,2|C<3>}	123.1500	0.000	1	123.1500	0.000	1	123.1500	0.000	1	126.4021	4.708	7	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,2|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	128.2255	0.330	2	128.2255	0.109	2	128.0795	0.099	4	126.4021	4.708	7	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	127.9335	0.319	2	127.9335	0.102	2	128.0795	0.099	4	126.4021	4.708	7	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,3|N<2>}	127.3250	0.000	1	127.3250	0.000	1	127.3250	0.000	1	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,2|N<2>}	127.3120	0.000	1	127.3120	0.000	1	127.3120	0.000	1	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	124.4805	0.118	2	124.4805	0.014	2	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|O<2>,2|H<1>,7|C<3>}	123.6390	0.000	1	123.6390	0.000	1	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	123.6170	0.000	1	123.6170	0.000	1	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|I<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|I<1>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	126.2535	0.261	2	126.0173	0.162	8	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	125.9940	0.000	1	126.0173	0.162	8	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	126.1230	0.145	3	126.0173	0.162	8	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	125.0930	0.000	1	126.0173	0.162	8	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	126.1750	0.000	1	126.0173	0.162	8	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	127.1990	0.294	2	127.1990	0.087	2	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	126.5200	0.000	1	126.5200	0.000	1	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,3|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	125.1490	0.000	1	126.0125	0.440	4	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	125.8540	0.000	1	126.0125	0.440	4	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,4|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	126.5235	0.166	2	126.0125	0.440	4	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){1|C<2>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	125.8400	0.000	1	125.5305	0.192	2	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){1|C<2>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	125.2210	0.000	1	125.5305	0.192	2	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	125.1910	0.000	1	125.1910	0.000	1	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	123.2967	0.281	3	123.2967	0.079	3	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	122.5510	0.000	1	122.5510	0.000	1	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	122.4070	0.000	1	122.4070	0.000	1	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	123.3230	0.000	1	123.3230	0.000	1	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	123.5510	0.691	3	123.1048	1.311	6	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.8415	0.630	2	123.1048	1.311	6	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	124.2930	0.000	1	123.1048	1.311	6	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	123.3525	0.313	2	123.3525	0.098	2	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br){3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	125.8980	0.466	4	125.8980	0.217	4	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl){3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	126.0812	0.310	4	126.0812	0.096	4	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I){3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	126.4580	0.000	1	126.4580	0.000	1	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	128.0310	0.585	2	128.0310	0.343	2	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	127.3720	0.000	1	127.8687	0.199	3	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	128.1170	0.170	2	127.8687	0.199	3	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	127.8160	0.000	1	127.8160	0.000	1	125.3125	2.955	51	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH){4|C<3>}	121.8210	0.229	4	121.8210	0.052	4	123.9754	2.568	18	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NHH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|N<2>,2|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){2|C<3>,2|N<2>,2|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NHH){1|N<2>,2|C<3>}	122.2850	0.025	2	122.2850	0.001	2	123.9754	2.568	18	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<4>,1|N<2>,2|C<3>}	124.7053	0.269	4	124.7053	0.072	4	123.9754	2.568	18	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(NHH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(NHH){1|C<4>,1|N<2>,2|C<3>}	124.0850	0.082	2	124.0850	0.007	2	123.9754	2.568	18	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Cl<1>,1|N<2>,2|C<3>}	124.1640	0.000	1	124.1640	0.000	1	123.9754	2.568	18	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,2|N<2>}	126.1465	0.233	2	126.1465	0.054	2	123.9754	2.568	18	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(NHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<2>,1|N<2>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(NHH){1|C<3>,2|N<2>}	126.2280	0.000	1	126.2280	0.000	1	123.9754	2.568	18	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|S<2>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,2|N<2>}	125.0140	0.313	2	125.0140	0.098	2	123.9754	2.568	18	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|O<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	123.4980	0.000	1	123.4980	0.000	1	123.4980	0.000	1	125.0088	3.215	72	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6,6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6,6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6,6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	124.6517	0.631	3	124.6517	0.398	3	124.6517	0.398	3	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)(CCHH)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)(CCHH){4|C<3>}	122.8555	0.602	2	122.8555	0.362	2	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,3|C<3>}	125.0360	0.000	1	125.0360	0.000	1	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|N<2>,3|C<3>}	125.1785	0.231	2	125.1785	0.053	2	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|C<4>,1|N<2>,2|C<3>}	127.2900	0.000	1	127.1268	0.203	5	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|H<1>,1|N<2>,2|C<3>}	127.5970	0.000	1	127.1268	0.203	5	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|C<4>,1|N<2>,2|C<3>}	126.9980	0.624	2	127.1268	0.203	5	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|H<1>,1|N<2>,2|C<3>}	126.7510	0.000	1	127.1268	0.203	5	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|N<2>,3|C<3>}	127.2843	0.438	4	127.3530	0.168	5	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|N<2>,3|C<3>}	127.6280	0.000	1	127.3530	0.168	5	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<2>,2|C<3>}	125.3320	0.000	1	125.3320	0.000	1	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|N<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|N<2>,3|C<3>}	127.1930	0.000	1	127.1930	0.000	1	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,3|C<3>}	125.9080	0.000	1	125.9080	0.000	1	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	124.3240	0.000	1	124.3240	0.000	1	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|C<2>,1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	124.4690	0.231	2	124.4690	0.053	2	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHHO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHHO){4|C<3>}	121.3150	0.000	1	121.3150	0.000	1	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|C<2>,1|C<4>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){4|C<3>}	122.3390	0.074	2	122.3390	0.005	2	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	127.5070	0.000	1	127.5070	0.000	1	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,2|N<2>}	126.0770	0.000	1	126.5270	0.405	2	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){2|C<3>,2|N<2>}	126.9770	0.000	1	126.5270	0.405	2	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,2|N<2>}	127.7170	0.000	1	127.4495	0.143	2	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){2|C<3>,2|N<2>}	127.1820	0.000	1	127.4495	0.143	2	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	127.1547	0.323	15	127.1547	0.104	15	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,2|N<2>}	126.8600	0.383	2	126.8600	0.147	2	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	126.6670	0.000	1	126.6670	0.000	1	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	127.1065	0.008	2	127.1065	0.000	2	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,2|N<2>}	126.2525	0.156	2	126.2525	0.024	2	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	127.3730	0.000	1	127.3730	0.000	1	126.3163	2.510	52	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[3]-4:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]I)(C[3]C[3]2H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){1|H<1>,1|I<1>,3|C<3>,3|C<4>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]I)(C[3]C[3]2H){4|C<3>,4|H<1>}	121.0170	0.000	1	121.0170	0.000	1	121.8387	0.878	3	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[3]-4:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H){4|C<3>,4|H<1>}	122.8590	0.000	1	122.8590	0.000	1	121.8387	0.878	3	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C[3]-4:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|C<4>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H){4|C<3>,4|H<1>}	121.6400	0.000	1	121.6400	0.000	1	121.8387	0.878	3	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	N[5a](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|O<1>,4|C<3>}	C[6a](N[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){4|C<3>}	126.1660	0.000	1	126.1660	0.000	1	126.1660	0.000	1	126.0015	3.331	59	125.2572	4.201	267	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5,5a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5,5a])2(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](N[5a]C[5,5a])2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[6a]N[5a]){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	122.2320	0.251	4	122.2320	0.063	4	121.9451	0.142	8	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5,5a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5,5a])2(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](N[5a]C[5,5a])2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[6a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	121.6583	0.223	4	121.6583	0.050	4	121.9451	0.142	8	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6,6]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6,6])2(C[6a]C[6a]2)	N[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6,6])2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|H<1>,1|N<3>,3|C<3>}	122.2535	0.737	4	122.0888	0.337	12	122.0888	0.337	12	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6,6]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6,6])2(C[6a]C[6a]2)	N[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6,6])2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	122.0064	0.523	8	122.0888	0.337	12	122.0888	0.337	12	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	121.7720	0.000	1	121.7720	0.000	1	121.7860	0.278	4	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	121.2390	0.000	1	121.8700	0.796	2	121.7860	0.278	4	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	122.5010	0.000	1	121.8700	0.796	2	121.7860	0.278	4	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	121.6320	0.000	1	121.6320	0.000	1	121.7860	0.278	4	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|Br<1>,1|H<1>,3|C<3>}	120.9370	0.404	2	121.8027	5.767	6	121.5166	1.464	74	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<2>,1|H<1>,3|C<3>}	122.2355	2.968	4	121.8027	5.767	6	121.5166	1.464	74	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]C)2(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	121.0355	0.709	4	121.0355	0.503	4	121.5166	1.464	74	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|Br<1>,1|H<1>,3|C<3>}	122.4125	0.542	2	121.5119	1.249	60	121.5166	1.464	74	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<2>,1|H<1>,3|C<3>}	121.2493	2.576	4	121.5119	1.249	60	121.5166	1.464	74	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<4>,1|H<1>,3|C<3>}	121.5396	1.453	10	121.5119	1.249	60	121.5166	1.464	74	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<4>,4|C<3>}	121.5967	0.505	12	121.5119	1.249	60	121.5166	1.464	74	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){2|C<4>,3|C<3>}	121.4480	0.976	32	121.5119	1.249	60	121.5166	1.464	74	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	121.5450	0.000	1	121.5143	0.600	3	121.5166	1.464	74	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	121.4990	1.095	2	121.5143	0.600	3	121.5166	1.464	74	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[6a]N[5a]){5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	122.0090	0.000	1	122.0090	0.000	1	121.5166	1.464	74	121.6326	1.204	98	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	123.4310	0.044	2	123.4310	0.002	2	123.4310	0.002	2	123.4310	0.002	2	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5a]N[5a]2){1|N<2>,2|H<1>,4|C<3>}	122.1600	0.000	1	122.1600	0.000	1	123.4703	1.040	7	122.6143	3.739	9	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|N<2>,2|C<3>,2|H<1>}	123.6887	0.921	6	123.6887	0.848	6	123.4703	1.040	7	122.6143	3.739	9	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:O[5a]-2:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[6a]N[5a])(O[5a]C[5a]){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.1610	0.000	1	119.6185	0.589	2	119.6185	0.589	2	122.6143	3.739	9	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:2:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:O[5a]-2:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[6a]N[5a])(O[5a]C[5a]){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|O<2>,2|C<3>,2|H<1>}	119.0760	0.000	1	119.6185	0.589	2	119.6185	0.589	2	122.6143	3.739	9	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2{1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	122.8685	0.271	2	123.2088	0.188	4	123.2088	0.188	4	122.2191	1.384	10	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2{2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	123.5490	0.168	2	123.2088	0.188	4	123.2088	0.188	4	122.2191	1.384	10	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	122.8590	0.157	2	122.8590	0.025	2	121.5593	1.072	6	122.2191	1.384	10	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2{1|H<1>,4|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2){1|N<3>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	121.0220	0.000	1	121.0220	0.000	1	121.5593	1.072	6	122.2191	1.384	10	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2{1|H<1>,4|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	121.2820	0.000	1	121.2820	0.000	1	121.5593	1.072	6	122.2191	1.384	10	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2{2|H<1>,3|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	120.6670	0.027	2	120.6670	0.001	2	121.5593	1.072	6	122.2191	1.384	10	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2)	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2){2|H<1>,5|C<3>}	123.4020	0.000	1	121.8326	1.170	9	121.8326	1.170	9	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2)	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|H<1>,1|I<1>,5|C<3>}	121.6315	0.066	2	121.8326	1.170	9	121.8326	1.170	9	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2)	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|H<1>,1|N<3>,5|C<3>}	121.6380	1.148	6	121.8326	1.170	9	121.8326	1.170	9	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5a]N[5a]2){1|N<2>,2|H<1>,4|C<3>}	124.3430	0.000	1	124.3430	0.000	1	122.1756	1.082	19	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|N<2>,2|C<3>,2|H<1>}	122.7344	1.018	5	122.7344	1.036	5	122.1756	1.082	19	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	121.8780	0.000	1	121.7940	0.598	13	122.1756	1.082	19	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	121.7615	0.841	11	121.7940	0.598	13	122.1756	1.082	19	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	122.0680	0.000	1	121.7940	0.598	13	122.1756	1.082	19	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2)	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{1|H<1>,5|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2){2|H<1>,5|C<3>}	120.2910	0.000	1	120.2910	0.000	1	122.3331	1.782	9	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2)	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{2|H<1>,4|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|H<1>,1|I<1>,5|C<3>}	122.7990	0.098	2	122.5884	1.366	8	122.3331	1.782	9	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2)	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{2|H<1>,4|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|H<1>,1|N<3>,5|C<3>}	122.5182	1.374	6	122.5884	1.366	8	122.3331	1.782	9	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|N<2>,2|C<3>,2|H<1>}	122.2130	0.000	1	122.2130	0.000	1	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O){2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.9590	0.000	1	122.1750	0.093	2	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O){2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|O<2>,2|C<3>,2|H<1>}	122.3910	0.000	1	122.1750	0.093	2	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|H<1>,4|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	122.0500	0.000	1	122.5715	0.544	2	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{3|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	123.0930	0.000	1	122.5715	0.544	2	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<2>,2|H<1>,3|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	122.1970	0.000	1	122.7307	0.530	15	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|Si<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){1|Si<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	122.8360	0.000	1	122.7307	0.530	15	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|H<1>,4|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	122.6216	0.868	9	122.7307	0.530	15	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{3|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	123.0835	0.405	4	122.7307	0.530	15	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5]){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	122.6690	0.000	1	122.6690	0.000	1	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	121.5130	0.000	1	121.5130	0.000	1	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]N[5a]2){2|H<1>,3|C<3>}	122.3360	1.703	2	122.3360	2.899	2	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){2|H<1>,3|C<3>}	122.1415	0.197	2	123.0489	1.582	7	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|C<3>,2|H<1>,2|I<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){1|Cl<1>,1|H<1>,3|C<3>}	122.8010	2.192	2	123.0489	1.582	7	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|C<3>,2|H<1>,2|I<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){2|H<1>,3|C<3>}	123.8190	0.742	3	123.0489	1.582	7	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	122.7265	0.721	2	122.4921	0.359	12	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|Cl<1>,1|H<1>,3|C<3>}	123.0710	0.000	1	122.4921	0.359	12	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|H<1>,1|I<1>,3|C<3>}	122.8090	0.000	1	122.4921	0.359	12	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	123.4730	0.000	1	122.4921	0.359	12	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|S<2>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	122.8560	0.000	1	122.4921	0.359	12	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{3|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	122.0405	0.336	6	122.4921	0.359	12	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]S)(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,1|S<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]S)(N[5a]N[5a]2){2|Cl<1>,3|C<3>}	122.3785	1.306	2	122.3785	1.706	2	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]2){1|N<2>,2|H<1>,4|C<3>}	122.2710	1.173	4	122.2115	0.835	6	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]2){2|H<1>,2|N<2>,3|C<3>}	122.0925	0.043	2	122.2115	0.835	6	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|N<3>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	122.4827	2.239	8	122.5073	4.328	10	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|N<3>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|C<4>,1|N<3>,2|N<2>,3|C<3>}	122.6055	1.959	2	122.5073	4.328	10	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|C<3>,2|H<1>,2|I<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){1|Cl<1>,1|H<1>,3|C<3>}	121.0615	1.483	2	120.9116	0.806	5	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|C<3>,2|H<1>,2|I<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){2|H<1>,3|C<3>}	120.8117	0.690	3	120.9116	0.806	5	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|Cl<1>,1|H<1>,3|C<3>}	121.7760	0.000	1	121.6210	0.030	3	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|H<1>,1|I<1>,3|C<3>}	121.6520	0.000	1	121.6210	0.030	3	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	121.4350	0.000	1	121.6210	0.030	3	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Ir)	C[6a](C[6a]C[6a]C)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|Ir<6>,1|N<2>,2|C<3>,2|C<4>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Ir){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	121.0360	0.033	2	121.0360	0.001	2	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[6a](C[6a]C[6a]C)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|Ir<6>,1|N<2>,2|C<3>,2|C<4>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N){1|Ir<6>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	121.9230	0.566	2	121.9230	0.320	2	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|S<2>,2|C<3>,3|H<1>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	121.6610	0.000	1	121.6610	0.000	1	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:2:	3:3:	3:3:3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Si)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|Si<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Si){3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	121.5050	0.000	1	121.5050	0.000	1	122.3250	1.310	75	122.2607	1.281	112	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-3:	N[5a]-3:N[6a]-3:N[6a]-2:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]N[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]N[6a]2){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<4>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	117.5230	0.000	1	117.5230	0.000	1	117.5230	0.000	1	117.5230	0.000	1	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|N<2>,2|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	118.0880	0.000	1	118.0880	0.000	1	118.3190	0.459	3	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|H<1>,2|O<2>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.7870	0.000	1	117.7870	0.000	1	118.3190	0.459	3	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a,6]Pd)(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a,6]Pd)(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a]C[6a]){1|Pd<7>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Pd<7>,1|N<3>,2|C<3>,2|H<1>}	119.0820	0.000	1	119.0820	0.000	1	118.3190	0.459	3	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	119.0290	0.875	2	118.0439	0.592	7	118.2246	1.151	25	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,5|C<3>}	117.7630	0.000	1	118.0439	0.592	7	118.2246	1.151	25	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.6215	0.135	4	118.0439	0.592	7	118.2246	1.151	25	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	116.8770	0.000	1	116.9893	0.475	3	118.2246	1.151	25	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.0455	0.965	2	116.9893	0.475	3	118.2246	1.151	25	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a]){1|Cl<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	119.5210	0.000	1	119.5210	0.000	1	118.2246	1.151	25	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.2180	0.000	1	119.2180	0.000	1	118.2246	1.151	25	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	119.5978	0.334	4	119.5978	0.112	4	118.2246	1.151	25	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	118.6193	0.789	3	118.6193	0.623	3	118.2246	1.151	25	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	117.6270	0.000	1	117.4483	1.085	4	118.2246	1.151	25	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,4|C<3>}	116.0990	0.000	1	117.4483	1.085	4	118.2246	1.151	25	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.0335	0.848	2	117.4483	1.085	4	118.2246	1.151	25	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|P<4>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,3|C<3>}	117.7760	0.000	1	117.7760	0.000	1	118.2246	1.151	25	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|Se<2>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Se<2>,2|H<1>,3|C<3>}	117.7830	0.000	1	117.7830	0.000	1	118.2246	1.151	25	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.1500	0.000	1	117.3395	0.072	2	117.3395	0.072	2	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|O<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.5290	0.000	1	117.3395	0.072	2	117.3395	0.072	2	118.1750	1.039	30	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(N[6a]C[6a,6a]){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	120.8490	0.000	1	120.8490	0.000	1	120.7140	0.036	2	120.5492	0.229	5	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	120.5790	0.000	1	120.5790	0.000	1	120.7140	0.036	2	120.5492	0.229	5	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<2>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	121.1180	0.000	1	121.1180	0.000	1	121.1180	0.000	1	120.5492	0.229	5	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	120.1000	0.311	2	120.1000	0.097	2	120.1000	0.097	2	120.5492	0.229	5	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6]){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	119.5210	0.000	1	118.9840	0.577	2	119.2867	1.504	16	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6]){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|O<2>,3|C<3>}	118.4470	0.000	1	118.9840	0.577	2	119.2867	1.504	16	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,3|C<3>,4|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6]){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.8070	1.534	2	119.3300	1.675	14	119.2867	1.504	16	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6]){4|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	119.3259	1.330	11	119.3300	1.675	14	119.2867	1.504	16	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,4|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6]){2|C<3>,2|C<4>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.4210	0.000	1	119.3300	1.675	14	119.2867	1.504	16	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	120.9700	0.000	1	120.9700	0.000	1	120.9700	0.000	1	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|O<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	119.2950	0.000	1	119.2950	0.000	1	119.7604	1.536	25	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|O<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	117.8330	0.000	1	118.3910	0.746	4	119.7604	1.536	25	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|O<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	118.5730	1.351	2	118.3910	0.746	4	119.7604	1.536	25	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|O<2>,3|C<3>}	118.5850	0.000	1	118.3910	0.746	4	119.7604	1.536	25	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	122.0280	0.000	1	122.0280	0.000	1	119.7604	1.536	25	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|I<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|H<1>,3|C<3>}	118.4220	0.000	1	119.8948	1.575	5	119.7604	1.536	25	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|I<1>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|H<1>,3|C<3>}	120.2630	1.094	4	119.8948	1.575	5	119.7604	1.536	25	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	119.6520	0.000	1	119.6520	0.000	1	119.7604	1.536	25	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	119.8620	0.000	1	119.5826	1.018	8	119.7604	1.536	25	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|I<1>,1|N<2>,3|C<3>}	119.8305	2.044	2	119.5826	1.018	8	119.7604	1.536	25	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.0860	0.000	1	119.5826	1.018	8	119.7604	1.536	25	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	119.7630	0.354	4	119.5826	1.018	8	119.7604	1.536	25	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	120.2657	0.466	4	120.2657	0.217	4	119.7604	1.536	25	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a]){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	122.2730	0.000	1	122.2730	0.000	1	119.7604	1.536	25	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|C<3>,2|N<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a]N[5a]){2|C<3>,3|H<1>,5|N<2>}	121.1025	0.067	2	121.1025	0.005	2	121.1025	0.005	2	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	120.4230	0.000	1	120.4230	0.000	1	121.6646	7.669	5	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	118.8850	0.000	1	118.8850	0.000	1	121.6646	7.669	5	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,3|N<2>}	124.6060	0.800	2	124.6060	0.641	2	121.6646	7.669	5	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,2|N<2>,3|C<3>}	119.8030	0.000	1	119.8030	0.000	1	121.6646	7.669	5	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	119.7495	5.795	2	119.7495	33.579	2	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	120.0197	1.133	6	119.7907	1.436	7	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|Si<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	118.4170	0.000	1	119.7907	1.436	7	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|Br<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	120.6635	0.787	2	120.6635	0.619	2	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	123.0480	0.000	1	120.4338	8.126	4	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.9235	3.580	2	120.4338	8.126	4	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	120.8400	0.000	1	120.4338	8.126	4	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	119.2370	0.000	1	119.2370	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	122.3177	0.277	3	122.3177	0.077	3	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	119.4840	0.000	1	119.4840	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){2|C<3>,2|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.8140	0.785	3	118.5949	0.561	61	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|Si<4>,1|C<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.3730	0.000	1	118.5949	0.561	61	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.4280	0.000	1	118.5949	0.561	61	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	118.9240	0.987	3	118.5949	0.561	61	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.4852	0.698	46	118.5949	0.561	61	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	119.9480	0.000	1	118.5949	0.561	61	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	118.6680	0.673	6	118.5949	0.561	61	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	117.4080	0.000	1	117.4080	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|O<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	119.5900	0.000	1	119.5900	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	119.4480	0.513	2	118.6686	1.429	17	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|N<3>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	118.8947	0.881	3	118.6686	1.429	17	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|P<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	117.2010	0.000	1	118.6686	1.429	17	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|Si<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	116.7120	0.000	1	118.6686	1.429	17	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	119.0756	1.350	7	118.6686	1.429	17	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	118.7420	0.000	1	118.6686	1.429	17	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	117.5840	0.000	1	118.6686	1.429	17	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	118.0180	0.000	1	118.6686	1.429	17	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5,6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	118.4930	0.000	1	118.4930	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	120.0120	0.000	1	120.0120	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,1|N<2>,3|C<3>}	119.0065	0.279	4	118.6901	0.300	14	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,1|N<2>,3|C<3>}	118.5635	0.587	10	118.6901	0.300	14	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	121.0120	0.000	1	121.1470	0.036	2	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	121.2820	0.000	1	121.1470	0.036	2	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|H<1>,5|C<3>}	120.0100	0.000	1	120.0100	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|Br<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)2{1|N<2>,2|C<3>,3|H<1>}	120.3485	0.692	2	120.3485	0.479	2	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|P<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.1400	0.000	1	119.6422	0.834	6	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	118.8220	0.222	2	119.6422	0.834	6	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.9390	0.000	1	119.6422	0.834	6	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	119.5650	0.659	2	119.6422	0.834	6	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|C<4>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<2>,2|C<3>,3|H<1>}	120.4300	1.223	2	120.5712	0.881	4	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<2>,2|C<3>,3|H<1>}	120.7125	1.033	2	120.5712	0.881	4	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	117.2450	0.000	1	117.2450	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	121.4160	0.000	1	119.4395	1.771	4	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	118.6410	0.000	1	119.4395	1.771	4	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	118.8505	0.272	2	119.4395	1.771	4	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|F<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|H<1>,1|N<2>,2|C<3>,2|F<1>}	120.1770	0.207	3	120.1770	0.043	3	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	119.9637	0.959	14	119.9115	0.896	15	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	119.1800	0.000	1	119.9115	0.896	15	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	119.7150	0.000	1	119.1989	1.135	10	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	119.7940	1.700	2	119.1989	1.135	10	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	118.6250	1.512	3	119.1989	1.135	10	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	119.2028	0.512	4	119.1989	1.135	10	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,2|C<3>,3|H<1>}	121.0040	0.392	3	120.7415	0.378	4	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,2|C<3>,3|H<1>}	119.9540	0.000	1	120.7415	0.378	4	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|S<2>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|C<3>,3|H<1>}	119.8120	0.000	1	119.8120	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	120.1605	0.537	2	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.8105	0.234	2	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	120.3135	1.152	2	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	120.5400	0.000	1	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,4|C<3>}	120.2940	1.317	2	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	120.4082	0.484	4	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	120.2940	0.488	20	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|P<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	119.7465	0.327	2	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|P<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	120.1876	0.785	8	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.8725	0.836	4	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.0745	0.315	2	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	120.1780	0.000	1	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	118.6200	0.000	1	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.3330	1.203	4	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.2920	0.000	1	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	120.1970	0.000	1	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,4|C<3>}	119.8020	0.000	1	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.0578	0.288	10	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	120.0470	0.748	74	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	118.5120	0.000	1	120.0338	0.566	143	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	120.1595	0.598	2	119.7157	0.485	4	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Se<2>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	119.2720	0.557	2	119.7157	0.485	4	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|I<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|I<1>,1|N<2>,2|C<3>,2|H<1>}	120.3199	1.217	8	120.3199	1.482	8	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|F<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|I<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|I<1>,1|N<2>,2|C<3>,2|F<1>}	119.6497	1.439	7	119.6497	2.072	7	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.2030	0.000	1	120.2030	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.8080	1.225	2	120.8080	1.500	2	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	118.7340	0.000	1	118.7340	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|P<3>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<3>,2|C<3>,2|H<1>}	118.8890	0.000	1	117.4046	3.043	7	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|P<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<4>,2|C<3>,2|H<1>}	117.1572	1.771	6	117.4046	3.043	7	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|P<3>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|P<3>,2|C<3>,2|H<1>}	119.5213	0.771	3	118.0184	3.390	7	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|P<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|P<4>,2|C<3>,2|H<1>}	116.8912	1.559	4	118.0184	3.390	7	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|Pd<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|N<2>,2|C<3>,2|H<1>}	117.0600	0.000	1	117.0600	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]Rh)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5a](C[5a]C[5a]Rh)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|Rh<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Rh<4>,1|N<2>,2|C<3>,2|H<1>}	117.3110	0.000	1	117.3110	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	121.0340	2.871	2	121.0340	8.242	2	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	119.7150	0.000	1	119.7150	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	121.4583	0.523	3	121.4583	0.274	3	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	122.4220	0.044	2	122.4220	0.002	2	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	119.9510	0.000	1	119.9510	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]N[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	120.9770	0.000	1	120.9770	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	120.0380	0.000	1	120.0380	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|Cl<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|H<1>,2|N<2>}	122.2660	0.000	1	122.2660	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	121.4500	0.000	1	120.9345	0.531	2	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|N<2>,3|H<1>}	120.4190	0.000	1	120.9345	0.531	2	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,2|N<2>,3|H<1>}	121.9740	0.000	1	121.9740	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	121.7030	0.000	1	121.2750	2.552	3	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<2>,2|H<1>,2|N<2>}	122.6150	0.000	1	121.2750	2.552	3	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|N<2>,3|H<1>}	119.5070	0.000	1	121.2750	2.552	3	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	121.1340	0.000	1	120.5413	0.322	3	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	120.2450	0.341	2	120.5413	0.322	3	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|N<2>,2|N<3>}	124.3364	5.258	8	122.8663	14.209	17	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	121.5676	0.403	8	122.8663	14.209	17	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	121.4950	0.000	1	122.8663	14.209	17	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	120.4210	1.172	3	120.4210	1.374	3	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|N<2>}	118.9760	0.000	1	121.0119	1.507	8	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	121.3027	0.984	7	121.0119	1.507	8	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	119.2560	0.000	1	119.2560	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	120.3200	0.000	1	120.3512	0.456	24	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	121.4850	0.000	1	120.3512	0.456	24	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|O<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,2|N<2>}	121.7365	1.641	2	120.3512	0.456	24	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	119.8850	0.133	2	120.3512	0.456	24	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	120.4930	0.000	1	120.3512	0.456	24	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|O<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	119.9190	0.000	1	120.3512	0.456	24	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|O<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	119.7790	0.000	1	120.3512	0.456	24	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|O<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	120.2308	0.318	14	120.3512	0.456	24	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|O<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|O<2>}	119.9590	0.000	1	120.3512	0.456	24	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]Pd)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]N[5a]Pd)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|Pd<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Pd<4>,1|C<3>,2|H<1>,2|N<2>}	119.0000	0.000	1	119.0000	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]Pd)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]Pd)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|Pd<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,2|H<1>,2|N<2>}	119.9420	0.000	1	119.9420	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]Pt)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]N[5a]Pt)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|Pt<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Pt<4>,1|C<3>,2|H<1>,2|N<2>}	117.9610	0.000	1	117.9610	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	122.4600	0.000	1	122.0800	0.289	2	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	121.7000	0.000	1	122.0800	0.289	2	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,1|S<2>,2|H<1>,2|N<2>}	119.8420	0.000	1	119.2495	0.702	2	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,1|S<4>,2|H<1>,2|N<2>}	118.6570	0.000	1	119.2495	0.702	2	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|S<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	119.8760	0.000	1	119.8760	0.000	1	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|H<1>,2|N<2>}	120.9076	1.017	41	120.7365	1.068	52	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|H<1>,2|N<2>}	120.0990	0.859	11	120.7365	1.068	52	119.9205	2.441	485	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	114.9090	0.000	1	115.5855	0.915	2	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	116.2620	0.000	1	115.5855	0.915	2	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	114.4770	0.000	1	114.4770	0.000	1	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	116.4905	0.148	2	115.7806	0.898	20	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	115.7017	0.968	18	115.7806	0.898	20	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	115.9740	1.337	8	115.8390	1.727	9	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	114.7590	0.000	1	115.8390	1.727	9	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	115.1080	0.000	1	116.3950	1.740	3	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	117.0385	0.998	2	116.3950	1.740	3	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	116.7400	0.000	1	116.7400	0.000	1	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]C)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]C){1|O<2>,2|C<3>,3|H<1>}	118.0730	0.000	1	118.0730	0.000	1	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	116.6400	0.000	1	116.6400	0.000	1	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,3|H<1>}	117.2100	0.000	1	117.2100	0.000	1	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	116.9250	0.000	1	116.9820	0.006	2	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	117.0390	0.000	1	116.9820	0.006	2	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	117.5783	0.387	3	117.5783	0.150	3	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|Pd<4>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	115.8540	0.000	1	115.8540	0.000	1	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a]){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|Si<4>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	114.6450	0.000	1	114.6450	0.000	1	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Si)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a]){1|Si<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|Si<4>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Si)(C[6a]C[6a]H){1|Si<4>,2|C<3>,3|O<2>}	116.1910	0.000	1	116.1910	0.000	1	116.0649	1.255	47	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	118.7460	0.000	1	118.7460	0.000	1	121.3071	1.673	7	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	122.4870	0.000	1	121.7650	1.043	2	121.3071	1.673	7	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	121.0430	0.000	1	121.7650	1.043	2	121.3071	1.673	7	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	121.6970	0.816	3	121.6970	0.666	3	121.3071	1.673	7	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]N)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	121.7830	0.000	1	121.7830	0.000	1	121.3071	1.673	7	119.6254	3.452	588	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|C<3>,2|H<1>,2|N<2>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,2|O<2>,3|C<3>}	121.5680	0.482	2	122.0266	0.276	5	122.0266	0.276	5	120.0046	2.938	27	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,2|C<4>,3|C<3>}	122.2170	0.304	2	122.0266	0.276	5	122.0266	0.276	5	120.0046	2.938	27	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{3|C<3>,3|H<1>}	122.5630	0.000	1	122.0266	0.276	5	122.0266	0.276	5	120.0046	2.938	27	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|C<4>,1|N<2>,2|C<3>,2|N<3>}	119.0820	0.574	3	119.0820	0.330	3	119.5450	2.390	22	120.0046	2.938	27	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2{1|C<4>,1|H<1>,3|C<3>}	116.6610	0.000	1	117.9750	0.669	8	119.5450	2.390	22	120.0046	2.938	27	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|N<2>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2{1|C<4>,3|C<3>}	118.1627	0.672	7	117.9750	0.669	8	119.5450	2.390	22	120.0046	2.938	27	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,2|N<2>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.9745	0.145	2	121.2466	0.072	7	119.5450	2.390	22	120.0046	2.938	27	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<2>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.9810	0.000	1	121.2466	0.072	7	119.5450	2.390	22	120.0046	2.938	27	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<2>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	121.4970	0.119	2	121.2466	0.072	7	119.5450	2.390	22	120.0046	2.938	27	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<2>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.4010	0.085	2	121.2466	0.072	7	119.5450	2.390	22	120.0046	2.938	27	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|H<1>,2|N<2>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{3|C<3>,3|H<1>}	120.1690	0.000	1	120.1690	0.000	1	119.5450	2.390	22	120.0046	2.938	27	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|N<2>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|O<1>,2|C<3>,3|N<3>}	121.2280	0.000	1	121.2280	0.000	1	119.5450	2.390	22	120.0046	2.938	27	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|N<3>,2|H<1>,3|C<3>}	118.9040	0.000	1	118.9040	0.000	1	119.5450	2.390	22	120.0046	2.938	27	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a](C[5a]N[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2	N[5a](C[5a]N[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){3|N<2>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N){1|N<3>,2|N<2>}	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2{1|N<2>,1|N<3>,2|C<3>}	119.9180	0.000	1	119.9180	0.000	1	119.5450	2.390	22	120.0046	2.938	27	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[6a]-2:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,4|C<3>}	118.2950	0.000	1	118.2950	0.000	1	118.2950	0.000	1	119.4180	4.275	4	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6a]-2:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(N[6a]N[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	119.4180	4.275	4	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6a]-2:C[6a]-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	119.4180	4.275	4	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:2:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:O[6a]-2:C[6a]-3:	N[5a](C[6a]C[6a]O[6a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a]C[5a]N[5a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a]O[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[5a]C[5a]N[5a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	121.0180	0.000	1	121.0180	0.000	1	121.0180	0.000	1	119.4180	4.275	4	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<4>,2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	118.7515	0.207	2	118.7515	0.043	2	118.7515	0.043	2	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	118.5400	0.542	3	118.5708	0.200	4	118.5708	0.200	4	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	118.6630	0.000	1	118.5708	0.200	4	118.5708	0.200	4	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5,5a,6]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[5a]C[5,5a,6]H)(C[6a]C[6a]N[6a])(N[5a]C[5,5a,6])	N[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5,5a,6]H)(C[6a]C[6a]N[6a])(N[5a]C[5,5a,6]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]C[6a]){1|C<3>,1|H<1>,1|N<2>,4|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.0785	1.218	6	119.0785	1.484	6	119.0785	1.484	6	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	116.3890	0.000	1	117.0855	0.970	2	117.0855	0.970	2	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	117.7820	0.000	1	117.0855	0.970	2	117.0855	0.970	2	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[6])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[6]){1|C<2>,1|N<2>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6a]-3:N[6a]-2:	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|N<2>,2|N<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<1>,2|C<3>,2|N<3>}	119.8040	0.000	1	119.8040	0.000	1	119.8040	0.000	1	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]O)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]O)(N[5a]C[5a,6]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	121.7230	0.000	1	121.7230	0.000	1	121.7230	0.000	1	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	119.8890	0.085	3	119.8890	0.007	3	119.2727	0.210	13	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,3|C<3>}	119.1720	0.157	3	119.0878	0.114	10	119.2727	0.210	13	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	119.0145	0.421	6	119.0878	0.114	10	119.2727	0.210	13	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	119.2750	0.000	1	119.0878	0.114	10	119.2727	0.210	13	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|H<1>,7|C<3>}	119.4010	0.000	1	119.4010	0.000	1	119.4010	0.000	1	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	118.1070	0.000	1	118.1070	0.000	1	120.1933	3.293	3	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	121.0690	0.000	1	121.0690	0.000	1	120.1933	3.293	3	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]O)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	121.4040	0.000	1	121.4040	0.000	1	120.1933	3.293	3	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](C[5,6a]C[5,6a]2)(N[5a]C[5a]N[5a])(N[6a]N[6a])	N[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]2)(N[5a]C[5a]N[5a])(N[6a]N[6a]){1|C<4>,6|C<3>}	119.2010	0.484	2	119.2010	0.234	2	119.2010	0.234	2	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	118.8310	0.033	2	118.8310	0.001	2	118.2428	1.614	4	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]N[6a])	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]N[6a]){1|C<4>,2|H<1>,5|C<3>}	118.9690	0.000	1	118.9690	0.000	1	118.2428	1.614	4	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|H<1>,7|C<3>}	116.3400	0.000	1	116.3400	0.000	1	118.2428	1.614	4	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|Br<1>,1|Cl<1>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Br){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|H<1>,4|C<3>}	117.7337	0.987	3	117.7337	0.973	3	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]C)(N[6a]N[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]C)(N[6a]N[6a]){1|B<4>,1|C<4>,3|C<3>}	118.8290	0.000	1	118.8290	0.000	1	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|H<1>,4|C<3>}	118.1750	0.000	1	118.1750	0.000	1	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.1120	0.000	1	117.5808	0.573	6	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.4800	0.000	1	117.5808	0.573	6	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	118.0610	0.602	3	117.5808	0.573	6	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	117.7100	0.000	1	117.5808	0.573	6	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	118.0070	0.000	1	118.0070	0.000	1	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	116.8810	0.000	1	116.8810	0.000	1	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	117.5020	0.000	1	117.5020	0.000	1	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	120.5200	0.000	1	120.0764	0.440	5	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	119.0400	0.000	1	120.0764	0.440	5	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	120.2740	0.432	3	120.0764	0.440	5	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(N[6a]C[6a,6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(N[6a]C[6a,6a]){2|H<1>,6|C<3>}	121.4655	0.595	2	121.4655	0.354	2	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	120.3065	0.025	2	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	119.7550	0.000	1	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	120.8280	0.000	1	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	120.4100	0.181	2	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|I<1>,1|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	120.2110	0.000	1	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	120.1560	0.000	1	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	120.5335	0.803	2	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	123.1713	2.986	3	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,3|C<3>}	119.9590	0.000	1	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	119.7285	0.757	2	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	120.5528	0.503	4	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	119.8090	0.078	2	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	120.0823	0.677	23	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	120.5390	0.325	3	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	120.4716	0.431	7	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	119.8840	0.000	1	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	118.8110	0.000	1	120.3459	1.107	57	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|S<2>,3|C<3>}	119.4590	0.000	1	119.8927	0.602	6	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	119.9794	0.835	5	119.8927	0.602	6	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]S)(N[6a]N[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]S)(N[6a]N[6a]){2|H<1>,3|C<3>}	120.9800	0.000	1	120.9800	0.000	1	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	121.2135	1.518	2	121.2135	2.305	2	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|I<1>,2|H<1>,3|C<3>}	119.8745	0.060	2	120.0917	0.198	6	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	120.2002	0.531	4	120.0917	0.198	6	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	118.2855	0.117	2	118.6200	0.342	3	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	119.2890	0.000	1	118.6200	0.342	3	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|N<3>,3|C<3>}	118.3010	0.000	1	118.3010	0.000	1	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.7532	0.550	5	121.7532	0.303	5	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]O)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]O)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	120.4910	0.000	1	120.4910	0.000	1	119.9790	1.878	103	119.7116	1.894	143	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	B[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]B[5a,6a]C[6a])	C[6a](N[5a]B[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|B<3>,1|B<4>,2|H<1>,4|C<3>}	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]B[5a,6a]C[6a]){1|B<4>,1|N<3>,4|C<3>}	C[6a](N[5a]B[5a,6a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	115.3930	0.000	1	115.3930	0.000	1	115.3930	0.000	1	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	B[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|N<2>,5|C<3>}	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	115.6330	0.000	1	115.2562	0.329	6	115.5171	0.751	7	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	B[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	115.1808	0.607	5	115.2562	0.329	6	115.5171	0.751	7	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	B[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	117.0830	0.000	1	117.0830	0.000	1	115.5171	0.751	7	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	B[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C){1|Cl<1>,3|C<3>}	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	116.3190	0.000	1	116.3190	0.000	1	116.3190	0.000	1	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)	C[6a](N[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C){1|C<4>,3|C<3>}	C[6a](N[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.7380	0.000	1	117.7380	0.000	1	119.5345	6.455	2	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5,5a]C[5,5a]O[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)	C[6a](N[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5,5a]C[5,5a]O[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	N[5a](N[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C){1|C<4>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	121.3310	0.000	1	121.3310	0.000	1	119.5345	6.455	2	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a]){1|N<3>,5|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.2440	0.023	2	120.2440	0.001	2	120.2440	0.001	2	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C){4|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	116.2190	0.642	2	116.2190	0.412	2	118.5756	4.801	5	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C){1|N<3>,3|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	120.3520	0.000	1	120.3520	0.000	1	118.5756	4.801	5	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H){1|N<3>,3|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.7140	0.000	1	119.7140	0.000	1	118.5756	4.801	5	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.3740	0.000	1	120.3740	0.000	1	118.5756	4.801	5	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,5a]C[6a])2	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,2|N<2>,4|C<3>}	N[5a](N[5a]C[5a,5a]C[6a])2{1|N<2>,5|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.5590	0.000	1	117.5590	0.000	1	119.9961	1.014	13	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|C<4>}	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.0773	0.639	3	120.0773	0.408	3	119.9961	1.014	13	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|F<1>}	120.7250	0.000	1	120.3661	0.530	8	119.9961	1.014	13	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.3149	0.771	7	120.3661	0.530	8	119.9961	1.014	13	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,5a]C[6a])2	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|C<4>,4|C<3>}	N[5a](N[5a]C[5a,5a]C[6a])2{1|N<2>,5|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.2290	0.000	1	119.2290	0.000	1	119.9961	1.014	13	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a]){1|C<4>,5|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.2330	0.000	1	118.2330	0.000	1	119.0034	0.526	5	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	119.3550	1.085	2	119.1960	0.454	4	119.0034	0.526	5	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	119.0370	0.288	2	119.1960	0.454	4	119.0034	0.526	5	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.3530	0.007	2	117.6807	0.322	3	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.3360	0.000	1	117.6807	0.322	3	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	119.3400	0.000	1	119.3400	0.000	1	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,5|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	118.6540	0.341	2	118.2733	0.493	3	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{2|F<1>,4|C<3>}	117.5120	0.000	1	118.2733	0.493	3	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]S)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]S){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	118.1970	0.000	1	118.1970	0.000	1	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[6,6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]N[6,6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.9105	0.781	4	119.9105	0.610	4	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.7417	0.494	12	119.0950	0.462	24	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.4820	0.000	1	119.0950	0.462	24	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	119.0240	0.000	1	119.0950	0.462	24	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|N<3>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.4785	0.108	2	119.0950	0.462	24	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.5916	0.770	7	119.0950	0.462	24	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|N<3>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.7750	0.000	1	119.0950	0.462	24	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,4|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.3550	0.000	1	119.3010	0.511	5	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.2875	0.825	4	119.3010	0.511	5	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]S)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]S){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	119.3395	0.723	2	119.3395	0.523	2	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	119.9060	0.000	1	119.9060	0.000	1	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	120.3210	0.000	1	119.5929	0.354	35	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	119.5518	0.564	11	119.5929	0.354	35	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	119.5808	0.614	23	119.5929	0.354	35	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|S<2>,2|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	120.5650	0.000	1	120.5650	0.000	1	119.3091	0.612	80	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){6|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	119.0130	0.000	1	119.0130	0.000	1	118.7864	0.245	5	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|N<2>,5|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	118.5950	0.000	1	118.7297	0.305	4	118.7864	0.245	5	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|N<2>,5|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	118.7747	0.667	3	118.7297	0.305	4	118.7864	0.245	5	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.6470	0.000	1	118.6470	0.000	1	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	119.2030	0.000	1	119.2030	0.000	1	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.2430	0.000	1	117.8295	0.342	2	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,4|C<3>}	117.4160	0.000	1	117.8295	0.342	2	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	118.8195	0.141	2	118.8195	0.020	2	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|N<2>,2|C<4>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N){4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)2{2|H<1>,4|C<3>}	119.9450	0.000	1	119.9450	0.000	1	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|N<2>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N){4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.7540	0.335	2	118.6103	0.118	3	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N){4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.3230	0.000	1	118.6103	0.118	3	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){2|C<3>,2|N<2>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	119.4855	0.001	2	119.1466	0.756	89	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	119.1819	0.810	85	119.1466	0.756	89	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<3>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.7700	0.000	1	119.1466	0.756	89	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<3>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	115.8410	0.000	1	119.1466	0.756	89	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	118.8873	0.342	10	118.8873	0.117	10	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N){1|N<3>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.5030	0.000	1	119.5030	0.000	1	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]S)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]S){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	118.4725	0.524	2	118.4725	0.275	2	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)2	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<4>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|O<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)2{1|O<2>,2|H<1>,3|C<3>}	118.6180	0.000	1	118.6180	0.000	1	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|O<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	119.2868	0.289	5	119.2868	0.084	5	119.0792	0.648	118	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	116.9540	0.000	1	116.9540	0.000	1	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]B[5,5]C[5a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a](C[5a]B[5,5]C[5a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<4>,2|C<3>,2|O<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	118.4440	0.000	1	118.4440	0.000	1	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	118.2075	0.947	6	118.6089	0.796	10	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	119.3560	0.070	3	118.6089	0.796	10	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.7760	0.000	1	118.6089	0.796	10	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	117.3800	0.000	1	117.3800	0.000	1	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|S<4>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.2540	0.000	1	118.2675	0.817	27	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){6|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.1963	0.793	6	118.2675	0.817	27	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.2896	0.975	20	118.2675	0.817	27	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	120.4560	0.000	1	119.7482	1.155	5	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	118.6085	0.168	2	119.7482	1.155	5	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	120.5340	0.506	2	119.7482	1.155	5	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	120.3671	0.562	15	120.0265	0.558	41	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.5819	0.446	19	120.0265	0.558	41	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|C<3>,2|H<1>,2|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	121.6890	1.723	2	120.0265	0.558	41	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	120.0292	0.279	5	120.0265	0.558	41	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.3600	0.000	1	119.3600	0.000	1	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	118.3730	0.000	1	118.3730	0.000	1	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	120.3390	0.000	1	120.3390	0.000	1	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.8107	0.565	3	118.0100	0.372	4	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.6080	0.000	1	118.0100	0.372	4	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|O<2>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	119.5285	0.718	6	119.6230	0.403	8	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	119.9065	0.182	2	119.6230	0.403	8	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<2>,2|H<1>,3|C<3>}	116.8440	0.000	1	116.8440	0.000	1	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	119.5688	1.003	12	119.5688	1.005	12	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){1|N<3>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.5362	0.323	4	120.5362	0.104	4	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){1|N<3>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.3560	0.000	1	120.3560	0.000	1	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a]){1|O<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.6830	0.516	2	119.6830	0.266	2	119.2773	1.340	121	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|B<6>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	120.9370	0.000	1	120.9370	0.000	1	120.0763	0.845	10	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	119.3060	0.964	2	119.3060	0.930	2	120.0763	0.845	10	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|I<1>,1|N<2>,2|H<1>,4|C<3>}	119.0820	0.000	1	119.0820	0.000	1	120.0763	0.845	10	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]Cl){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	119.5220	0.208	2	119.5220	0.043	2	120.0763	0.845	10	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	120.3985	0.231	2	120.7720	0.389	4	120.0763	0.845	10	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N){2|Cl<1>,1|H<1>,2|N<2>,3|C<3>}	121.1455	0.745	2	120.7720	0.389	4	120.0763	0.845	10	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.7570	0.000	1	118.0348	0.328	6	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.7417	0.437	4	118.0348	0.328	6	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.4850	0.000	1	118.0348	0.328	6	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]B[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]B[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|B<3>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|B<3>,2|H<1>,3|C<3>}	117.8170	0.000	1	117.8170	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	118.6275	0.262	2	118.6275	0.069	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|F<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|C<3>}	117.9560	0.000	1	117.9560	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	117.8982	0.536	5	118.3662	0.356	17	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	118.8375	0.661	2	118.3662	0.356	17	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.6500	0.000	1	118.3662	0.356	17	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	118.6573	0.422	4	118.3662	0.356	17	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|Pd<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Pd<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.9900	0.000	1	118.3662	0.356	17	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	117.9445	0.750	2	118.3662	0.356	17	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	118.0690	0.000	1	118.3662	0.356	17	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.8330	0.000	1	118.3662	0.356	17	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	118.7183	0.226	3	118.7183	0.051	3	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	117.8387	0.403	3	117.8637	0.111	4	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.9390	0.000	1	117.8637	0.111	4	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|Fe<10>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	117.4890	0.000	1	117.4890	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.4737	0.786	3	118.3422	0.481	4	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.9480	0.000	1	118.3422	0.481	4	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.5220	0.000	1	119.5220	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.3180	0.883	3	118.5377	1.795	6	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,4|C<3>}	118.1995	1.610	2	118.5377	1.795	6	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	116.8730	0.000	1	118.5377	1.795	6	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	119.9240	0.000	1	119.9240	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,4|C<3>}	117.8090	0.000	1	117.8576	0.794	50	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	119.2595	0.902	2	117.8576	0.794	50	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	116.7640	0.000	1	117.8576	0.794	50	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.5550	0.000	1	117.8576	0.794	50	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.1455	0.910	2	117.8576	0.794	50	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,4|C<3>}	118.6040	0.000	1	117.8576	0.794	50	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.7119	0.966	29	117.8576	0.794	50	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|S<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.2720	0.000	1	117.8576	0.794	50	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.3678	0.474	5	117.8576	0.794	50	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.7971	0.576	7	117.8576	0.794	50	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.3800	0.725	3	118.3800	0.525	3	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{2|H<1>,4|C<3>}	117.1740	0.000	1	117.1740	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Br<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	119.2570	0.000	1	118.7062	0.976	12	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<1>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.1950	0.000	1	118.7062	0.976	12	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.2037	0.133	3	118.7062	0.976	12	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	118.9159	1.230	7	118.7062	0.976	12	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.2400	1.819	4	117.2400	3.308	4	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	119.3028	0.984	14	119.3165	0.852	17	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	119.3803	0.721	3	119.3165	0.852	17	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	119.1790	0.000	1	119.1790	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	120.7807	0.193	3	119.9054	0.635	8	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.1070	0.362	2	119.9054	0.635	8	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.5623	0.397	3	119.9054	0.635	8	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Br){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	120.3790	0.000	1	120.3790	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.5680	0.000	1	118.5680	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.0640	0.000	1	118.0640	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	119.2530	0.000	1	121.0500	1.278	5	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	121.6047	0.686	3	121.0500	1.278	5	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	121.1830	0.000	1	121.0500	1.278	5	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	120.3030	0.000	1	119.5480	0.203	11	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.5400	0.000	1	119.5480	0.203	11	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.3440	0.000	1	119.5480	0.203	11	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.5455	0.166	2	119.5480	0.203	11	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	119.2980	0.000	1	119.5480	0.203	11	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.5250	0.654	4	119.5480	0.203	11	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.3520	0.000	1	119.5480	0.203	11	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	119.5315	0.224	2	119.5315	0.050	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.6745	1.467	2	121.6745	2.153	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	121.2740	0.000	1	121.1370	0.038	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	121.0000	0.000	1	121.1370	0.038	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	120.6502	0.898	6	120.8388	0.853	12	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	121.0284	1.110	5	120.8388	0.853	12	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	121.0220	0.000	1	120.8388	0.853	12	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	119.4940	0.000	1	119.4940	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	119.7750	0.000	1	119.7750	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	120.7300	0.000	1	121.5457	8.221	23	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.8980	0.000	1	121.5457	8.221	23	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	120.2910	0.000	1	121.5457	8.221	23	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	119.8980	0.000	1	121.5457	8.221	23	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	119.9060	0.000	1	121.5457	8.221	23	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	122.5767	3.290	14	121.5457	8.221	23	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.6887	0.613	4	121.5457	8.221	23	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	120.4640	0.361	2	120.4640	0.130	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	118.1920	0.000	1	118.1920	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	119.1930	0.000	1	119.1930	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	121.1180	0.000	1	121.1180	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.7247	0.381	7	119.7247	0.145	7	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	119.6450	0.000	1	119.6450	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|I<1>,3|C<3>}	119.9010	0.000	1	119.6430	0.133	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<3>}	119.3850	0.000	1	119.6430	0.133	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|S<3>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,1|S<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|I<1>,2|H<1>,3|C<3>}	120.4730	0.000	1	120.4730	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|I<1>,1|O<2>,3|C<3>}	118.1380	0.000	1	118.1380	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|I<1>,1|N<2>,2|C<3>,2|H<1>}	118.3910	0.000	1	119.5795	2.825	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|I<1>,2|H<1>,3|C<3>}	120.7680	0.000	1	119.5795	2.825	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|I<1>,1|N<2>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]I){1|H<1>,1|I<1>,3|C<3>}	119.2300	0.000	1	119.2300	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,2|C<3>,2|H<1>}	117.1580	0.000	1	118.6325	4.348	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	120.1070	0.000	1	118.6325	4.348	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]I)2	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,2|I<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]I)2{1|Cl<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	118.0160	0.000	1	118.0160	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	119.6335	0.934	2	119.6335	0.873	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	118.7870	0.000	1	118.7870	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|Cl<1>,1|C<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Br<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<2>,2|H<1>,3|C<3>}	119.2232	0.538	4	119.4399	1.247	33	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<2>,2|H<1>,3|C<3>}	120.0771	1.255	11	119.4399	1.247	33	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	118.9214	1.013	14	119.4399	1.247	33	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|I<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	119.1150	0.000	1	119.4399	1.247	33	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|S<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,1|S<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	120.4910	0.000	1	119.4399	1.247	33	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|Cl<1>,1|C<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<2>,2|H<1>,3|C<3>}	119.6350	0.501	2	119.4399	1.247	33	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	118.8790	0.000	1	118.7861	1.111	48	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	117.7050	0.273	2	118.7861	1.111	48	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	118.7310	0.000	1	118.7861	1.111	48	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.2610	0.119	2	118.7861	1.111	48	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.7365	0.172	2	118.7861	1.111	48	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	118.4980	0.920	5	118.7861	1.111	48	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,2|N<3>,3|C<3>}	120.1970	0.000	1	118.7861	1.111	48	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.0982	1.034	22	118.7861	1.111	48	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	117.3250	0.000	1	118.7861	1.111	48	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.9825	1.222	6	118.7861	1.111	48	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	118.1890	0.000	1	118.7861	1.111	48	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.1150	1.506	4	118.7861	1.111	48	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	119.0690	0.765	2	119.0690	0.585	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	119.7300	0.000	1	119.7300	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.5373	1.223	4	118.7620	0.875	10	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,1|S<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.9290	0.000	1	118.7620	0.875	10	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.8680	0.000	1	118.7620	0.875	10	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.6685	0.795	4	118.7620	0.875	10	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	117.9030	0.000	1	117.9030	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	119.2750	0.000	1	119.2750	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.8773	0.715	4	118.8773	0.512	4	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S){1|N<3>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.1870	0.000	1	118.1870	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>,3|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	118.0260	0.000	1	118.0260	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|O<2>,1|S<2>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	119.5290	0.000	1	119.0485	0.462	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){2|O<2>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	118.5680	0.000	1	119.0485	0.462	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.0480	0.000	1	121.0480	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	118.2870	0.243	4	119.1326	0.826	128	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	120.2106	0.432	7	119.1326	0.826	128	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|Cl<1>,1|O<2>,3|C<3>}	119.8750	1.121	2	119.1326	0.826	128	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	119.7060	0.000	1	119.1326	0.826	128	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	119.0027	0.844	97	119.1326	0.826	128	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	119.3947	1.056	15	119.1326	0.826	128	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	120.3545	0.527	2	119.1326	0.826	128	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Pd<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	125.6280	0.000	1	125.6280	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|S<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	119.9707	0.608	3	119.9707	0.369	3	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	119.8370	0.666	2	119.8370	0.444	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.8310	0.000	1	121.8310	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.0840	1.124	2	120.0840	1.264	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	119.8285	1.074	2	119.8285	1.154	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	120.5850	0.907	3	120.5850	0.822	3	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]S[6a]S)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,2|S<2>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]S[6a]S){1|H<1>,1|N<2>,3|C<3>}	121.2858	0.635	6	121.2858	0.404	6	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	121.2820	0.262	2	121.2820	0.068	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.7150	0.195	2	120.7150	0.038	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	121.4502	0.775	23	121.4502	0.601	23	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<2>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	120.8260	0.000	1	120.1182	2.087	11	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	120.0474	1.503	10	120.1182	2.087	11	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N){1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.5790	0.000	1	119.5790	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|O<1>,1|S<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.5130	0.000	1	120.5130	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|O<1>,1|S<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.8770	0.000	1	119.8770	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.3430	0.000	1	119.3430	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<2>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.5135	0.326	2	119.5673	0.171	9	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<3>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.0980	0.000	1	119.5673	0.171	9	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.3370	0.237	3	119.5673	0.171	9	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.7945	0.002	2	119.5673	0.171	9	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|O<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.3810	0.000	1	119.5673	0.171	9	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	119.4040	0.000	1	121.4368	15.174	4	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.4430	0.000	1	121.4368	15.174	4	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.6220	0.000	1	121.4368	15.174	4	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|O<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	127.2780	0.000	1	121.4368	15.174	4	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C){1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	121.2285	0.463	2	121.2285	0.215	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C){1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.4090	0.000	1	120.4090	0.000	1	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]S[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]S[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C){1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,1|S<2>,2|C<3>,2|H<1>}	117.5870	0.625	2	117.5870	0.391	2	119.3412	2.304	544	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])2	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])2{1|C<4>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.3860	0.000	1	117.4740	0.015	2	117.4740	0.015	2	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])2	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|C<4>}	N[5a](N[5a]C[5a]C[6a])2{1|C<4>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	117.5620	0.000	1	117.4740	0.015	2	117.4740	0.015	2	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	121.4630	0.081	2	121.4630	0.006	2	121.4630	0.006	2	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	120.5737	0.164	4	120.5737	0.027	4	120.5737	0.027	4	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a]N[5a])	N[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a]N[5a]){1|N<2>,3|H<1>,6|C<3>}	121.3700	0.000	1	121.3700	0.000	1	121.3700	0.000	1	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	119.6365	0.187	2	119.6365	0.035	2	120.8577	1.453	7	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	122.0970	0.000	1	121.3462	1.128	5	120.8577	1.453	7	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	121.1585	1.126	4	121.3462	1.128	5	120.8577	1.453	7	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	116.3400	0.000	1	117.6022	0.775	4	117.6022	0.775	4	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	118.0230	0.316	3	117.6022	0.775	4	117.6022	0.775	4	119.2833	1.935	934	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	4:2:3:	3:3:	3:3:3:	B[5a]-4:N[5a]-2:C[6a]-3:	C[5a,5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a]){1|C<4>,2|F<1>,4|C<3>}	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	119.0430	0.436	2	119.4945	0.336	4	119.4945	0.336	4	119.4945	0.336	4	119.7337	3.070	1967	120.5176	6.895	2296
813	519	643	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6a]	4:2:3:	3:3:	3:3:3:	B[5a]-4:N[5a]-2:C[6a]-3:	C[5a,5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a]){1|H<1>,2|F<1>,4|C<3>}	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	119.9460	0.049	2	119.4945	0.336	4	119.4945	0.336	4	119.4945	0.336	4	119.7337	3.070	1967	120.5176	6.895	2296