217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])2(CH3)	C(N[6a]C[5,6a]2)(H)3	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CH3){1|C<3>,4|S<2>}	C(N[6a]C[5,6a]2)(H)3	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	119.1877	0.380	6	119.2499	0.602	12	119.2499	0.602	12	120.1633	1.979	40	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])2(CH3)	C(N[6a]C[5,6a]2)(H)3	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CH3){1|C<3>,4|S<2>}	C(N[6a]C[5,6a]2)(H)3	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	119.3095	0.380	2	119.2499	0.602	12	119.2499	0.602	12	120.1633	1.979	40	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])2(CH3)	C(N[6a]C[5,6a]2)(H)3	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CH3){1|C<3>,4|S<2>}	C(N[6a]C[5,6a]2)(H)3	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	119.3135	1.379	4	119.2499	0.602	12	119.2499	0.602	12	120.1633	1.979	40	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3)	C(N[6a]C[5,6a]C[6,6a])(H)3	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3){2|C<3>,3|S<2>}	C(N[6a]C[5,6a]C[6,6a])(H)3	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	118.1502	0.699	4	118.1502	0.489	4	118.1502	0.489	4	120.1633	1.979	40	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CH3){1|C<3>,1|S<1>,2|S<2>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	118.7090	0.000	1	118.7090	0.000	1	120.8264	1.113	22	120.1633	1.979	40	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(N[5]C[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(N[5]C[5]){1|N<3>,2|C<3>,2|O<1>}	119.6270	0.000	1	119.6270	0.000	1	120.8264	1.113	22	120.1633	1.979	40	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]){1|H<1>,1|N<3>,2|O<1>}	120.7905	0.416	2	120.7905	0.173	2	120.8264	1.113	22	120.1633	1.979	40	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,2|N<2>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){1|N<3>,2|O<1>}	121.0894	1.057	14	121.0147	0.979	18	120.8264	1.113	22	120.1633	1.979	40	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,2|N<3>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){2|Ni<6>,1|N<3>,2|O<1>}	120.6737	0.917	3	121.0147	0.979	18	120.8264	1.113	22	120.1633	1.979	40	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,2|N<2>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]N[5]){1|N<3>,2|O<1>}	120.9920	0.000	1	121.0147	0.979	18	120.8264	1.113	22	120.1633	1.979	40	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:O[5]-2:	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5,6])	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5,6]){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	122.2460	0.000	1	122.2460	0.000	1	122.3755	0.034	2	120.1633	1.979	40	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:O[5]-2:	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5])	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(O[5]C[5]){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	122.5050	0.000	1	122.5050	0.000	1	122.3755	0.034	2	120.1633	1.979	40	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	124.5190	0.000	1	124.5190	0.000	1	122.8395	1.275	23	122.8395	1.275	23	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	124.3580	0.000	1	123.9005	0.419	8	122.8395	1.275	23	122.8395	1.275	23	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	123.9147	0.912	4	123.9005	0.419	8	122.8395	1.275	23	122.8395	1.275	23	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Pt<4>,1|C<4>,1|N<3>,2|O<1>}	123.7200	0.000	1	123.9005	0.419	8	122.8395	1.275	23	122.8395	1.275	23	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Rh<6>,1|C<4>,1|N<3>,2|O<1>}	124.0010	0.000	1	123.9005	0.419	8	122.8395	1.275	23	122.8395	1.275	23	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]C){1|Ru<6>,1|H<1>,1|N<3>,2|O<1>}	123.4660	0.000	1	123.9005	0.419	8	122.8395	1.275	23	122.8395	1.275	23	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]Cu)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|Cu<5>,1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]Cu){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	122.0815	1.487	2	122.0815	2.211	2	122.8395	1.275	23	122.8395	1.275	23	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	122.0977	0.340	3	122.1186	0.335	12	122.8395	1.275	23	122.8395	1.275	23	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	122.2301	0.679	7	122.1186	0.335	12	122.8395	1.275	23	122.8395	1.275	23	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	121.7595	0.589	2	122.1186	0.335	12	122.8395	1.275	23	122.8395	1.275	23	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:B[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:C[5]-4:	N[6a](C[5,6a]C[5,6a]C[5])(B[6a]C[6a]2)(CH3)	C(N[6a]C[5,6a]B[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]B[6a]C)(C[5]C[5]HH)	N[6a](C[5,6a]C[5,6a]C[5])(B[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,4|C<3>}	C(N[6a]C[5,6a]B[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]B[6a]C)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	117.4760	0.000	1	117.4760	0.000	1	117.4760	0.000	1	119.1870	5.855	2	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:C[5]-4:	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(C[5]C[5]HH)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	C(N[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	120.8980	0.000	1	120.8980	0.000	1	120.8980	0.000	1	119.1870	5.855	2	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-3:	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH)	C(N[6a]C[5,6a]C[6a])(CNO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH){5|C<3>}	C(N[6a]C[5,6a]C[6a])(CNO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,2|O<1>,4|C<3>}	122.7485	1.126	2	122.7485	1.269	2	122.7485	1.269	2	122.0770	3.213	6	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:N[6a]-3:	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|C<4>,1|S<2>,3|C<3>}	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	122.7690	0.000	1	122.7690	0.000	1	122.7690	0.000	1	122.0770	3.213	6	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-3:	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH)	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH){5|C<3>}	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){1|H<1>,2|O<1>,4|C<3>}	122.7820	0.744	2	121.3987	6.018	3	121.3987	6.018	3	122.0770	3.213	6	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:N[6a]-3:	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH)	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH){5|C<3>}	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[6a]C[6a]C){2|O<1>,5|C<3>}	118.6320	0.000	1	121.3987	6.018	3	121.3987	6.018	3	122.0770	3.213	6	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	C(N[6a]C[5,6a]2)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	C(N[6a]C[5,6a]2)(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	119.3936	0.231	5	119.3936	0.053	5	119.2635	0.174	12	119.1799	0.197	14	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	C(N[6a]C[5,6a]2)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	C(N[6a]C[5,6a]2)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	119.4067	0.758	3	119.1706	0.259	7	119.2635	0.174	12	119.1799	0.197	14	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	C(N[6a]C[5,6a]2)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	C(N[6a]C[5,6a]2)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	118.9600	0.017	2	119.1706	0.259	7	119.2635	0.174	12	119.1799	0.197	14	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	C(N[6a]C[5,6a]2)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	C(N[6a]C[5,6a]2)(CH3)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[5,6a]C)(N[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	119.0270	0.330	2	119.1706	0.259	7	119.2635	0.174	12	119.1799	0.197	14	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:N[6a]-3:N[5]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CCHH)	C(N[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CCHH){1|C<3>,1|S<1>,2|S<2>}	C(N[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	118.6780	0.240	2	118.6780	0.058	2	118.6780	0.058	2	119.1799	0.197	14	120.8376	3.491	85	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C(N[6a]C[5a,6a]C[6a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[6a]C[5a,6a]C[6a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	118.2410	0.000	1	118.2410	0.000	1	118.2410	0.000	1	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C(N[6a]C[5a,6a]C[6a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C)(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[6a]C[5a,6a]C[6a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C)(O[5a]C[5a]){1|O<1>,4|C<3>}	120.3910	0.000	1	120.3910	0.000	1	120.3910	0.000	1	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<1>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,2|O<1>}	121.3840	0.000	1	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|O<1>,2|N<3>}	121.3035	0.670	2	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	120.9686	0.606	5	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	121.0110	0.000	1	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	120.8541	0.609	110	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|I<1>,1|N<3>,2|O<1>}	120.9155	0.122	2	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	121.5200	0.000	1	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|N<3>,2|O<1>}	121.5375	0.180	2	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Co<6>,1|H<1>,1|N<3>,2|O<1>}	120.0850	0.000	1	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Mg<6>,1|H<1>,1|N<3>,2|O<1>}	120.2910	0.000	1	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|C<4>,2|O<1>}	121.1170	0.000	1	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,2|O<1>}	121.1997	0.649	69	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Pd<4>,1|C<4>,1|N<3>,2|O<1>}	120.8470	0.984	2	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Pt<4>,1|H<1>,1|N<3>,2|O<1>}	121.8400	0.086	2	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Zn<4>,1|H<1>,1|N<3>,2|O<1>}	121.0530	0.000	1	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Zn<5>,1|H<1>,1|N<3>,2|O<1>}	120.7605	0.569	2	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	121.2716	0.572	13	121.0137	0.402	216	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a]){1|Cu<5>,1|N<3>,2|O<1>}	121.3600	0.081	2	121.1658	0.169	4	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]N[5a]){1|Ni<6>,1|N<3>,2|O<1>}	120.9715	0.590	2	121.1658	0.169	4	121.0165	0.398	220	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	121.4400	0.000	1	121.4400	0.000	1	121.4400	0.000	1	121.0032	0.429	223	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a,6a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	121.2080	0.000	1	121.2080	0.000	1	121.2080	0.000	1	122.6281	3.538	14	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){2|H<1>,4|C<3>}	120.4440	0.000	1	120.0670	0.120	3	120.0670	0.120	3	122.6281	3.538	14	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){3|C<3>,3|H<1>}	119.8785	0.163	2	120.0670	0.120	3	120.0670	0.120	3	122.6281	3.538	14	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	121.3035	0.428	2	121.3035	0.183	2	121.3035	0.183	2	122.6281	3.538	14	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CH3){1|N<2>,4|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]C){1|C<4>,1|O<1>,4|C<3>}	123.1430	0.000	1	123.1430	0.000	1	124.0973	0.443	8	122.6281	3.538	14	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){2|C<4>,3|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	124.3640	0.000	1	124.2107	0.457	3	124.0973	0.443	8	122.6281	3.538	14	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){2|C<4>,3|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	124.1340	0.938	2	124.2107	0.457	3	124.0973	0.443	8	122.6281	3.538	14	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,4|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C){1|N<3>,2|O<1>,4|C<3>}	124.7065	0.443	2	124.7065	0.197	2	124.0973	0.443	8	122.6281	3.538	14	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|N<2>,2|C<3>,2|C<4>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C){1|H<1>,1|N<3>,2|O<1>}	123.7950	0.338	2	123.7950	0.114	2	124.0973	0.443	8	122.6281	3.538	14	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHO)	C(N[6a]C[5a,6a]C[6a])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHO){1|H<1>,3|C<3>}	C(N[6a]C[5a,6a]C[6a])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	121.0710	0.000	1	121.0710	0.000	1	121.0710	0.000	1	121.0710	0.000	1	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH)	C(N[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	C(N[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	118.4000	0.000	1	118.4000	0.000	1	118.4000	0.000	1	120.3510	2.143	6	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[5a,6a]C[6a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|Br<1>,1|N<2>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	120.0800	0.000	1	120.0800	0.000	1	121.5170	4.130	2	120.3510	2.143	6	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH)	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH){1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,1|O<1>,2|H<1>}	122.9540	0.000	1	122.9540	0.000	1	121.5170	4.130	2	120.3510	2.143	6	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH){1|Br<1>,1|N<2>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	120.2240	0.069	3	120.2240	0.005	3	120.2240	0.005	3	120.3510	2.143	6	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[5a,6a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(N[6a]C[6a]C)	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH){1|H<1>,1|N<2>,5|C<3>}	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(N[6a]C[6a]C){6|C<3>}	114.2840	0.000	1	114.2840	0.000	1	114.2840	0.000	1	119.1598	13.069	5	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|N<2>,4|C<3>}	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	122.9770	0.000	1	122.9770	0.000	1	122.9770	0.000	1	119.1598	13.069	5	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]C){1|O<1>,4|C<3>}	120.7295	2.162	2	120.7295	4.673	2	120.7295	4.673	2	119.1598	13.069	5	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]C)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]C){1|O<1>,4|C<3>}	117.0790	0.000	1	117.0790	0.000	1	117.0790	0.000	1	119.1598	13.069	5	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH){1|C<2>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	119.7480	0.000	1	119.7480	0.000	1	119.7480	0.000	1	119.7480	0.000	1	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	120.0630	0.000	1	120.8193	0.530	3	120.8282	0.354	4	121.3482	0.865	6	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	120.8800	0.000	1	120.8193	0.530	3	120.8282	0.354	4	121.3482	0.865	6	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,2|O<1>}	121.5150	0.000	1	120.8193	0.530	3	120.8282	0.354	4	121.3482	0.865	6	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	120.8550	0.000	1	120.8550	0.000	1	120.8282	0.354	4	121.3482	0.865	6	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,3|C<3>}	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|N<3>,2|C<3>,2|O<1>}	122.4880	0.000	1	122.4880	0.000	1	122.4880	0.000	1	121.3482	0.865	6	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH)	C(N[6a]C[5a,6a]C[6a])(C[6]C[6]S[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH){1|N<2>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(C[6]C[6]S[6]H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>}	122.2880	0.000	1	122.2880	0.000	1	122.2880	0.000	1	121.3482	0.865	6	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C(N[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|N<2>,1|S<2>,4|C<3>}	C(N[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]C){1|N<2>,1|S<2>,3|C<3>}	120.8700	0.000	1	120.8700	0.000	1	120.8700	0.000	1	120.5675	0.183	2	121.0405	1.041	258	120.9902	1.648	343
217	490	727	0:SP2_SP2_SP3	N[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]C)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]C){2|C<3>,3|H<1>}	120.2650	0.000	1	120.2650	0.000	1	120.2650	0.000	1	120.5675	0.183	2	121.0405	1.041	258	120.9902	1.648	343
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	B[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	B[6a,6a]-3:N[6a]-3:N[6a]-3:	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C(N[6a]B[6a,6a]C[6a,6a])(H)3	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]C)2	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C(N[6a]B[6a,6a]C[6a,6a])(H)3	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]C)2{2|C<4>,4|C<3>}	124.2448	0.310	6	124.2448	0.096	6	124.2448	0.096	6	124.2448	0.096	6	123.3690	1.260	12	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:B[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[3x6a]-3:N[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH)	C(N[6a]B[6a,6a]C[6a,6a])(CCHH)(H)2	B[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]C)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C(N[6a]B[6a,6a]C[6a,6a])(CCHH)(H)2	B[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]C)2{6|C<3>}	122.4932	0.914	6	122.4932	0.835	6	122.4932	0.835	6	122.4932	0.835	6	123.3690	1.260	12	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:2:4:	3:1:1:1:	3:3:2:	B[6a]-3:N[6a]-2:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-2:	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CH3)	C(N[6a]B[6a]N[6a])(H)3	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	C(N[6a]B[6a]N[6a])(H)3	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH){1|H<1>,3|C<3>}	123.6180	0.000	1	123.6180	0.000	1	123.6180	0.000	1	123.6180	0.000	1	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:1:	B[6a]-3:B[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:Cl-1:	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3)	C(N[6a]B[6a]2)(H)3	B[6a](N[6a]B[6a]C)2(Cl)	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3){1|B<3>,2|C<4>}	C(N[6a]B[6a]2)(H)3	B[6a](N[6a]B[6a]C)2(Cl){3|N<3>}	119.0295	0.245	2	119.0295	0.060	2	120.3608	0.546	14	120.3608	0.546	14	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:1:	B[6a]-3:B[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:Cl-1:	N[6a](B[6a]N[6a]Cl)2(CH3)	C(N[6a]B[6a]2)(H)3	B[6a](N[6a]B[6a]C)2(Cl)	N[6a](B[6a]N[6a]Cl)2(CH3){1|B<3>,2|C<4>}	C(N[6a]B[6a]2)(H)3	B[6a](N[6a]B[6a]C)2(Cl){2|Cl<1>,1|N<3>}	120.5827	0.513	12	120.5827	0.264	12	120.3608	0.546	14	120.3608	0.546	14	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:2:	B[6a]-3:B[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-2:	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3)	C(N[6a]B[6a]2)(H)3	B[6a](N[6a]B[6a]C)2(ON)	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3){1|B<3>,2|C<4>}	C(N[6a]B[6a]2)(H)3	B[6a](N[6a]B[6a]C)2(ON){3|N<3>}	118.5940	0.365	2	118.5940	0.133	2	118.5940	0.133	2	118.5940	0.133	2	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:3:	B[6a]-3:B[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:N-3:	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3)	C(N[6a]B[6a]2)(H)3	B[6a](N[6a]B[6a]C)2(NCC)	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3){1|B<3>,2|C<4>}	C(N[6a]B[6a]2)(H)3	B[6a](N[6a]B[6a]C)2(NCC){1|Cl<1>,2|N<3>}	121.0380	0.188	2	121.0380	0.035	2	119.1819	3.103	14	120.3780	3.767	25	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:3:	B[6a]-3:B[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:N-3:	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3)	C(N[6a]B[6a]2)(H)3	B[6a](N[6a]B[6a]C)2(NCC)	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3){1|B<3>,2|C<4>}	C(N[6a]B[6a]2)(H)3	B[6a](N[6a]B[6a]C)2(NCC){1|O<2>,2|N<3>}	121.7270	0.150	2	121.7270	0.022	2	119.1819	3.103	14	120.3780	3.767	25	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:3:	B[6a]-3:B[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:N-3:	N[6a](B[6a]N[6a]N)2(CH3)	C(N[6a]B[6a]2)(H)3	B[6a](N[6a]B[6a]C)2(NCC)	N[6a](B[6a]N[6a]N)2(CH3){1|B<3>,2|C<4>}	C(N[6a]B[6a]2)(H)3	B[6a](N[6a]B[6a]C)2(NCC){1|Cl<1>,2|N<3>}	117.1885	0.131	2	118.3017	1.410	10	119.1819	3.103	14	120.3780	3.767	25	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:3:	B[6a]-3:B[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:N-3:	N[6a](B[6a]N[6a]N)2(CH3)	C(N[6a]B[6a]2)(H)3	B[6a](N[6a]B[6a]C)2(NCC)	N[6a](B[6a]N[6a]N)2(CH3){1|B<3>,2|C<4>}	C(N[6a]B[6a]2)(H)3	B[6a](N[6a]B[6a]C)2(NCC){1|O<2>,2|N<3>}	116.8155	0.145	2	118.3017	1.410	10	119.1819	3.103	14	120.3780	3.767	25	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:3:	B[6a]-3:B[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:N-3:	N[6a](B[6a]N[6a]N)2(CH3)	C(N[6a]B[6a]2)(H)3	B[6a](N[6a]B[6a]C)2(NCC)	N[6a](B[6a]N[6a]N)2(CH3){1|B<3>,2|C<4>}	C(N[6a]B[6a]2)(H)3	B[6a](N[6a]B[6a]C)2(NCC){3|N<3>}	119.1682	0.500	6	118.3017	1.410	10	119.1819	3.103	14	120.3780	3.767	25	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C(N[6a]B[6a]C[6a])(H)3	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[6a]B[6a]C[6a])(H)3	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	121.3685	0.200	2	121.6893	0.157	4	121.5437	0.151	7	120.3780	3.767	25	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C(N[6a]B[6a]C[6a])(H)3	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(N[6a]B[6a]C[6a])(H)3	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	122.0100	0.140	2	121.6893	0.157	4	121.5437	0.151	7	120.3780	3.767	25	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C(N[6a]B[6a]C[6a])(H)3	B[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|I<1>,4|C<3>}	C(N[6a]B[6a]C[6a])(H)3	B[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	121.0600	0.000	1	121.0600	0.000	1	121.5437	0.151	7	120.3780	3.767	25	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C(N[6a]B[6a]C[6a])(H)3	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|Br<1>,1|N<3>,3|C<3>}	C(N[6a]B[6a]C[6a])(H)3	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	121.4945	0.336	2	121.4945	0.113	2	121.5437	0.151	7	120.3780	3.767	25	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]B[6a]C[6a])(H)3	B[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3){2|H<1>,3|C<3>}	C(N[6a]B[6a]C[6a])(H)3	B[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	122.6010	0.748	3	122.6010	0.560	3	122.6010	0.560	3	120.3780	3.767	25	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:B[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[5,6a]C[5,6a]C[5])(B[6a]C[6a]2)(CH3)	C(N[6a]C[5,6a]B[6a])(H)3	B[6a](N[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]C[5])(B[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,4|C<3>}	C(N[6a]C[5,6a]B[6a])(H)3	B[6a](N[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	122.2940	0.000	1	122.2940	0.000	1	122.2940	0.000	1	120.3780	3.767	25	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:4:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(N[6a]B[6a]C[6a])(H)3	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC[6a]2H)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	C(N[6a]B[6a]C[6a])(H)3	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC[6a]2H){1|C<3>,2|H<1>}	122.9295	0.474	2	122.9295	0.225	2	122.9295	0.225	2	122.9295	0.225	2	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a,6a]-3:B[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OB[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OB[6a]){1|H<1>,4|C<3>}	118.4470	0.130	2	118.4470	0.017	2	118.8850	0.584	3	118.8850	0.584	3	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a,6a]-3:B[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:O-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OH){1|H<1>,4|C<3>}	119.7610	0.000	1	119.7610	0.000	1	118.8850	0.584	3	118.8850	0.584	3	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:3:1:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-3:	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(N[6a]B[6a]C[6a])(C[6a]C[6a]2)(H)2	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CCH)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	C(N[6a]B[6a]C[6a])(C[6a]C[6a]2)(H)2	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CCH){1|C<3>,2|H<1>}	124.2170	0.000	1	124.2170	0.000	1	124.2170	0.000	1	122.4610	6.167	2	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:B[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH)	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.7050	0.000	1	120.7050	0.000	1	120.7050	0.000	1	122.4610	6.167	2	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:4:1:1:	3:3:2:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:N-2:	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CCHH)	C(N[6a]B[6a]C[6a])(CH3)(H)2	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(N[6a]B[6a]C[6a])(CH3)(H)2	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC){1|C<3>,2|H<1>}	123.3320	0.000	1	123.3320	0.000	1	123.3320	0.000	1	122.4492	0.716	5	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:4:1:1:	3:3:2:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	C(N[6a]B[6a]C[6a])(CC[5a]2H)(H)2	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OC)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(N[6a]B[6a]C[6a])(CC[5a]2H)(H)2	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	121.1220	0.000	1	121.1220	0.000	1	122.2285	0.630	4	122.4492	0.716	5	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:4:1:1:	3:3:2:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	C(N[6a]B[6a]C[6a])(CH3)(H)2	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OC)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(N[6a]B[6a]C[6a])(CH3)(H)2	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	122.7170	0.000	1	122.7170	0.000	1	122.2285	0.630	4	122.4492	0.716	5	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:4:1:1:	3:3:2:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	C(N[6a]B[6a]C[6a])(CH3)(H)2	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(ON[6])	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(N[6a]B[6a]C[6a])(CH3)(H)2	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(ON[6]){1|C<3>,2|H<1>}	122.8810	0.000	1	122.8810	0.000	1	122.2285	0.630	4	122.4492	0.716	5	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:4:1:1:	3:3:2:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	C(N[6a]B[6a]C[6a])(CH3)(H)2	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OP)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(N[6a]B[6a]C[6a])(CH3)(H)2	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OP){1|C<3>,2|H<1>}	122.1940	0.000	1	122.1940	0.000	1	122.2285	0.630	4	122.4492	0.716	5	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:4:1:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	C(N[6a]B[6a]C[6a])(CH3)(H)2	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|Br<1>,1|H<1>,3|C<3>}	C(N[6a]B[6a]C[6a])(CH3)(H)2	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C){3|C<3>,4|H<1>}	122.9655	0.629	2	122.9655	0.395	2	122.9655	0.395	2	122.0357	2.791	3	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:B[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH)	C(N[6a]C[6a,6a]B[6a])(CCHH)(H)2	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C(N[6a]C[6a,6a]B[6a])(CCHH)(H)2	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2){1|S<2>,3|H<1>,5|C<3>}	120.1760	0.000	1	120.1760	0.000	1	120.1760	0.000	1	122.0357	2.791	3	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:4:1:1:	3:3:4:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:P-4:	N[6a](B[6a]C[6a]P)(C[6a]C[6a]H)(CCHH)	C(N[6a]B[6a]C[6a])(CH3)(H)2	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(PC3)	N[6a](B[6a]C[6a]P)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(N[6a]B[6a]C[6a])(CH3)(H)2	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(PC3){1|C<3>,2|H<1>}	124.5830	0.000	1	124.5830	0.000	1	124.5830	0.000	1	124.5830	0.000	1	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:4:4:4:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3)	C(N[6a]B[6a]C[6a])(CH3)3	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3){1|C<2>,1|H<1>,3|C<3>}	C(N[6a]B[6a]C[6a])(CH3)3	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	122.9285	0.196	2	123.0773	0.086	3	123.0773	0.086	3	124.6962	5.065	5	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:4:4:4:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3)	C(N[6a]B[6a]C[6a])(CH3)3	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]B[6a]C[6a])(CH3)3	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	123.3750	0.000	1	123.0773	0.086	3	123.0773	0.086	3	124.6962	5.065	5	121.0978	4.631	63	121.4612	4.770	75
217	490	927	0:SP2_SP2_SP3	N[6a]	C	B[6a]	3:3:4:	3:4:4:4:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:C-4:	C[6a]-3:N[6a]-3:N-3:	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CC3)	C(N[6a]B[6a]C[6a])(CH3)3	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6a]2)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CC3){1|C<3>,2|H<1>}	C(N[6a]B[6a]C[6a])(CH3)3	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6a]2){1|C<3>,2|H<1>}	127.1245	0.660	2	127.1245	0.435	2	127.1245	0.435	2	124.6962	5.065	5	121.0978	4.631	63	121.4612	4.770	75
217	618	643	0:SP2_SP2_SP2	N[6,6a]	B[6]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	B[6,6,6a]-3:C[6a,6a]-3:B[6]-3:	N[6,6a]-3:B[6]-3:N-3:	N[6,6a]-3:C[3x6a]-3:C[6a]-3:	N[6,6a](B[6,6,6a]N[6,6a]B[3x6])(C[6a,6a]C[3x6a]C[6a])(B[6]B[6]N)	B[6](N[6,6a]B[6,6,6a]C[6a,6a])(B[6]N[6,6]N)(NCC)	C[6a,6a](N[6,6a]B[6,6,6a]B[6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	N[6,6a](B[6,6,6a]N[6,6a]B[3x6])(C[6a,6a]C[3x6a]C[6a])(B[6]B[6]N){1|B<3>,1|H<1>,3|C<3>,3|N<3>}	B[6](N[6,6a]B[6,6,6a]C[6a,6a])(B[6]N[6,6]N)(NCC){1|B<3>,1|N<3>,3|C<3>}	C[6a,6a](N[6,6a]B[6,6,6a]B[6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,2|B<3>,2|N<3>,3|C<3>}	125.8860	0.000	1	125.8860	0.000	1	125.8860	0.000	1	125.8860	0.000	1	125.8860	0.000	1	125.8860	0.000	1
217	618	927	6:SP2_SP2_SP2	N[6,6a]	B[6]	B[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	B[6,6,6a]-3:C[6a,6a]-3:B[6]-3:	N[6,6a]-3:B[6]-3:N-3:	N[6,6a]-3:N[6,6a]-3:B[3x6]-3:	N[6,6a](B[6,6,6a]N[6,6a]B[3x6])(C[6a,6a]C[3x6a]C[6a])(B[6]B[6]N)	B[6](N[6,6a]B[6,6,6a]C[6a,6a])(B[6]N[6,6]N)(NCC)	B[6,6,6a](N[6,6a]C[6a,6a]B[6])2(B[3x6]N[6,6]2)	N[6,6a](B[6,6,6a]N[6,6a]B[3x6])(C[6a,6a]C[3x6a]C[6a])(B[6]B[6]N){1|B<3>,1|H<1>,3|C<3>,3|N<3>}	B[6](N[6,6a]B[6,6,6a]C[6a,6a])(B[6]N[6,6]N)(NCC){1|B<3>,1|N<3>,3|C<3>}	B[6,6,6a](N[6,6a]C[6a,6a]B[6])2(B[3x6]N[6,6]2){2|B<3>,2|N<3>,5|C<3>}	113.3890	0.000	1	113.3890	0.000	1	113.3890	0.000	1	113.3890	0.000	1	113.3890	0.000	1	113.3890	0.000	1
217	622	643	0:SP2_SP2_SP3	N[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a,6a]-3:C[6a,6a]-3:O[6]-2:	N[6,6a]-3:O[6]-2:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(O[6]O[6])	O[6](N[6,6a]C[6,6a,6a]C[6a,6a])(O[6]C[6,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(O[6]O[6]){1|H<1>,6|C<3>}	O[6](N[6,6a]C[6,6a,6a]C[6a,6a])(O[6]C[6,6a]){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	114.5560	0.000	1	114.5560	0.000	1	114.5560	0.000	1	114.5560	0.000	1	114.5560	0.000	1	114.5560	0.000	1
217	622	643	6:SP2_SP2_SP3	N[6,6a]	O[6]	C[6,6a,6a]	3:3:2:	3:2:	3:3:3:	C[6,6a,6a]-3:C[6a,6a]-3:O[6]-2:	N[6,6a]-3:O[6]-2:	C[6,6a,6a]-3:C[3x6a]-3:N[6,6a]-3:	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(O[6]O[6])	O[6](N[6,6a]C[6,6a,6a]C[6a,6a])(O[6]C[6,6a])	C[6,6a,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[3x6a]C[6a,6a]C[3x6a])(N[6,6a]C[6a,6a]O[6])	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(O[6]O[6]){1|H<1>,6|C<3>}	O[6](N[6,6a]C[6,6a,6a]C[6a,6a])(O[6]C[6,6a]){5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[3x6a]C[6a,6a]C[3x6a])(N[6,6a]C[6a,6a]O[6]){1|O<2>,7|C<3>}	124.2260	0.000	1	124.2260	0.000	1	124.2260	0.000	1	124.2260	0.000	1	124.2260	0.000	1	124.2260	0.000	1
217	643	643	0:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	120.1390	0.000	1	120.1390	0.000	1	120.1390	0.000	1	120.1390	0.000	1	120.8483	0.741	9	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	121.2980	0.000	2	121.2980	0.000	2	120.6900	1.109	3	120.9370	0.765	8	120.8483	0.741	9	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]F)	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]H){1|F<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]F){1|H<1>,2|F<1>,5|C<3>}	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.4740	0.000	1	119.4740	0.000	1	120.6900	1.109	3	120.9370	0.765	8	120.8483	0.741	9	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.1230	0.000	1	121.8125	0.951	2	121.8125	0.951	2	120.9370	0.765	8	120.8483	0.741	9	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	122.5020	0.000	1	121.8125	0.951	2	121.8125	0.951	2	120.9370	0.765	8	120.8483	0.741	9	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:N[6a]-3:O-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]O)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]2)(N[6a]C[6a,6a]H)(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]O){2|H<1>,5|C<3>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[6a](N[6,6a]C[6,6a]2)(N[6a]C[6a,6a]H)(O){1|N<2>,4|C<3>}	120.6003	0.258	3	120.6003	0.067	3	120.6003	0.067	3	120.9370	0.765	8	120.8483	0.741	9	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6,6a]	C[6a,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a,6a](N[6,6a]C[5,6,6a]C[6,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<2>,2|H<1>,7|C<3>}	C[6a,6a](N[6,6a]C[5,6,6a]C[6,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](N[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	127.5040	0.000	1	127.5040	0.000	1	127.5040	0.000	1	127.5040	0.000	1	127.5040	0.000	1	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6,6a]-3:C[6]-4:	N[6a,6a]-3:C[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	C[6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	C[6a](N[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){1|H<1>,1|N<2>,2|C<4>,2|O<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	120.1750	0.000	1	120.1750	0.000	1	120.1750	0.000	1	122.0955	7.377	2	122.0955	7.377	2	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[6a,6a]-3:C[6,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6,6a]-3:C[6]-4:	N[6a,6a]-3:C[6a,6a]-3:O-1:	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	C[6,6a](N[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	C[6a](N[6a,6a]N[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](N[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){2|O<1>,3|C<4>,4|C<3>}	C[6a](N[6a,6a]N[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	124.0160	0.000	1	124.0160	0.000	1	124.0160	0.000	1	122.0955	7.377	2	122.0955	7.377	2	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:B[6a,6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a,6a]2)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a,6a]2){2|H<1>,8|C<3>}	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	120.9750	0.000	1	120.9750	0.000	1	120.8605	0.026	2	122.0985	1.679	6	122.0985	1.679	6	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:B[6a,6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a]2)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a]2){4|H<1>,6|C<3>}	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.7460	0.000	1	120.7460	0.000	1	120.8605	0.026	2	122.0985	1.679	6	122.0985	1.679	6	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2){1|H<1>,1|O<2>,8|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	122.7175	1.121	4	122.7175	1.257	4	122.7175	1.257	4	122.0985	1.679	6	122.0985	1.679	6	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){2|Cl<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O){1|Cl<1>,2|C<3>,2|N<2>}	120.5250	0.979	2	120.5250	0.958	2	120.5250	0.958	2	120.5250	0.958	2	121.7502	7.447	16	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a,6a]H)(H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](N[6a,6a]B[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	119.5490	0.000	1	119.5490	0.000	1	119.5490	0.000	1	122.3605	6.858	11	121.7502	7.447	16	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:B[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.3920	0.000	1	120.3920	0.000	1	120.3920	0.000	1	122.3605	6.858	11	121.7502	7.447	16	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	118.7890	0.000	1	118.7890	0.000	1	118.7890	0.000	1	122.3605	6.858	11	121.7502	7.447	16	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O){1|O<2>,4|C<3>}	120.5620	0.115	2	120.5620	0.013	2	120.7887	0.161	3	122.3605	6.858	11	121.7502	7.447	16	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,3|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(O){5|C<3>}	121.2420	0.000	1	121.2420	0.000	1	120.7887	0.161	3	122.3605	6.858	11	121.7502	7.447	16	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2)	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	125.6720	0.031	2	125.1887	0.701	3	125.1887	0.701	3	122.3605	6.858	11	121.7502	7.447	16	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2)	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	124.2220	0.000	1	125.1887	0.701	3	125.1887	0.701	3	122.3605	6.858	11	121.7502	7.447	16	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	124.1940	0.000	1	124.1940	0.000	1	124.1940	0.000	1	122.3605	6.858	11	121.7502	7.447	16	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	125.1090	0.000	1	125.1090	0.000	1	125.1090	0.000	1	122.3605	6.858	11	121.7502	7.447	16	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,7|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	122.5200	0.457	2	122.5200	0.209	2	122.5200	0.209	2	122.5200	0.209	2	121.7502	7.447	16	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	4:3:3:	4:3:2:	3:3:3:	B[3x6a]-4:C[6a,6a]-3:C[6a]-3:	B[3x6a]-4:N[6a,6a]-3:C-2:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]B[3x6a]C)(C[6a]C[6a]2)	C[6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[6a,6a]B[3x6a]C[6a])(CN)	C[6a](N[6a,6a]C[6a,6a]B[3x6a])(C[6a]C[6a]C)2	N[6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]B[3x6a]C)(C[6a]C[6a]2){2|C<4>,2|N<3>,7|C<3>}	C[6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[6a,6a]B[3x6a]C[6a])(CN){2|N<3>,7|C<3>}	C[6a](N[6a,6a]C[6a,6a]B[3x6a])(C[6a]C[6a]C)2{1|B<4>,1|C<2>,1|N<3>,2|H<1>,3|C<3>}	115.9480	0.000	1	115.9480	0.000	1	115.9480	0.000	1	115.9480	0.000	1	121.7502	7.447	16	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:C-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C){1|H<1>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,3|N<2>}	123.1880	0.000	1	123.1880	0.000	1	123.1880	0.000	1	123.0227	0.021	3	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:N-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N){1|H<1>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>,2|N<2>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<4>,1|N<3>,3|N<2>}	122.9400	0.000	2	122.9400	0.000	2	122.9400	0.000	2	123.0227	0.021	3	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:C-4:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C){1|H<1>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){2|C<4>,3|N<2>}	122.6650	0.000	1	122.6650	0.000	1	122.6650	0.000	1	122.6650	0.000	1	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a]-3:N[6a]-2:S-2:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	121.1990	0.000	1	121.1990	0.000	1	121.1990	0.000	1	121.1990	0.000	1	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	B[6,6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](B[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](N[6a,6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a,6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6a](N[6a,6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	121.6580	0.000	1	121.6580	0.000	1	121.6580	0.000	1	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|I<1>,2|C<3>,3|H<1>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	117.9350	0.000	1	117.8467	0.323	7	117.8467	0.323	7	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{2|Br<1>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	117.2480	0.000	1	117.8467	0.323	7	117.8467	0.323	7	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	117.6330	0.201	2	117.8467	0.323	7	117.8467	0.323	7	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	117.7580	0.000	1	117.8467	0.323	7	117.8467	0.323	7	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.3600	0.952	2	117.8467	0.323	7	117.8467	0.323	7	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a]-3:C[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2{5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	118.9610	0.390	4	118.9610	0.152	4	118.9610	0.152	4	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(H)	N[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(H){1|N<2>,1|O<1>,3|C<3>}	116.7670	0.000	1	116.7670	0.000	1	117.0430	0.430	3	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	116.5700	0.000	1	116.5700	0.000	1	117.0430	0.430	3	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	117.7920	0.000	1	117.7920	0.000	1	117.0430	0.430	3	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a]-3:N[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O){1|N<2>,1|O<1>,3|C<3>}	118.5680	0.000	1	118.5680	0.000	1	118.5680	0.000	1	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	117.2530	0.000	1	117.2530	0.000	1	117.2530	0.000	1	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(O)	N[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(O){1|H<1>,4|C<3>}	115.6690	0.000	1	115.6690	0.000	1	116.8081	1.039	18	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H){1|O<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	113.7300	0.000	1	113.7300	0.000	1	116.8081	1.039	18	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){2|H<1>,5|C<3>}	116.8023	0.147	3	116.8023	0.022	3	116.8081	1.039	18	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	116.5250	0.000	1	116.6676	0.226	5	116.8081	1.039	18	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	116.8660	0.000	1	116.6676	0.226	5	116.8081	1.039	18	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	117.3990	0.000	1	116.6676	0.226	5	116.8081	1.039	18	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	116.2740	0.038	2	116.6676	0.226	5	116.8081	1.039	18	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	116.5020	0.000	2	116.5020	0.000	2	116.8081	1.039	18	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.6796	0.332	5	117.7330	0.105	6	116.8081	1.039	18	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.0000	0.000	1	117.7330	0.105	6	116.8081	1.039	18	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:N[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	116.3030	0.000	1	116.3030	0.000	1	116.3030	0.000	1	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	116.4990	0.000	1	116.4990	0.000	1	117.4364	0.410	5	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.1620	0.000	1	117.1620	0.000	1	117.4364	0.410	5	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	117.8600	0.000	1	117.6890	0.058	2	117.4364	0.410	5	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	117.5180	0.000	1	117.6890	0.058	2	117.4364	0.410	5	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	118.1430	0.000	1	118.1430	0.000	1	117.4364	0.410	5	117.4490	1.526	41	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|N<2>,1|O<1>,2|H<1>,7|C<3>}	120.5610	0.000	1	120.5610	0.000	1	120.5610	0.000	1	120.5610	0.000	1	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:C-4:	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(O)	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CCHH)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CCHH){1|O<1>,4|C<3>}	123.5745	0.026	2	123.5745	0.001	2	123.5477	0.003	3	123.5477	0.003	3	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:C-4:	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(O)	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3){1|O<1>,4|C<3>}	123.4940	0.000	1	123.4940	0.000	1	123.5477	0.003	3	123.5477	0.003	3	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|S<2>,7|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a,6a]C[6a,6a]C[6a])(O){6|C<3>}	117.1910	0.000	1	117.1910	0.000	1	117.1910	0.000	1	119.9056	1.744	19	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,7|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	119.5360	0.649	2	119.5360	0.421	2	119.8588	0.351	10	119.9056	1.744	19	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){8|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|F<1>,6|C<3>}	119.7540	0.000	1	119.7540	0.000	1	119.8588	0.351	10	119.9056	1.744	19	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	119.9165	0.046	2	119.9165	0.002	2	119.8588	0.351	10	119.9056	1.744	19	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){7|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	119.6820	0.654	3	119.6820	0.428	3	119.8588	0.351	10	119.9056	1.744	19	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	120.4415	0.940	2	120.4415	0.883	2	119.8588	0.351	10	119.9056	1.744	19	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.8170	0.000	1	118.8170	0.000	1	119.9247	1.251	3	119.9056	1.744	19	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,3|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|O<1>,3|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.0540	0.000	1	120.4785	0.662	2	119.9247	1.251	3	119.9056	1.744	19	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|I<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|O<1>,3|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.9030	0.000	1	120.4785	0.662	2	119.9247	1.251	3	119.9056	1.744	19	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|H<1>,4|C<3>}	119.5160	0.000	1	119.5160	0.000	1	119.3907	1.554	3	119.9056	1.744	19	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,7|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|H<1>,4|C<3>}	118.0860	0.000	1	118.0860	0.000	1	119.3907	1.554	3	119.9056	1.744	19	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	120.5700	0.000	1	120.5700	0.000	1	119.3907	1.554	3	119.9056	1.744	19	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	120.9110	0.000	1	120.9110	0.000	1	120.9110	0.000	1	119.9056	1.744	19	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	123.5700	0.000	1	123.5700	0.000	1	123.5700	0.000	1	119.9056	1.744	19	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C-4:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.1410	0.000	1	121.1410	0.000	1	121.1410	0.000	1	121.1410	0.000	1	118.8413	4.939	70	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-3:C[6]-4:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]2)(C[6]C[6]HH)	C[6a](N[6a]C[6,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](N[6a]C[6,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.4980	0.000	1	120.4980	0.000	1	120.4980	0.000	1	120.4980	0.000	1	120.4980	0.000	1	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[3x6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){7|C<3>}	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.3500	0.000	1	122.3500	0.000	1	122.3500	0.000	1	122.7344	0.201	8	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H)	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.9570	0.356	2	123.0038	0.072	5	122.7893	0.207	7	122.7344	0.201	8	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H)	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	123.3500	0.000	1	123.0038	0.072	5	122.7893	0.207	7	122.7344	0.201	8	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H)	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H){1|N<3>,5|C<3>}	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.8775	0.070	2	123.0038	0.072	5	122.7893	0.207	7	122.7344	0.201	8	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]F)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,2|F<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]F)2{2|F<1>,4|C<3>}	121.9810	0.000	1	121.9810	0.000	1	122.7893	0.207	7	122.7344	0.201	8	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.5250	0.000	1	122.5250	0.000	1	122.7893	0.207	7	122.7344	0.201	8	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|N<3>,2|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	119.1570	0.000	1	119.1570	0.000	1	119.1570	0.000	1	119.3756	0.226	8	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	119.3980	0.277	2	119.3590	0.043	3	119.4853	0.092	4	119.3756	0.226	8	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<1>,7|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	119.2810	0.000	1	119.3590	0.043	3	119.4853	0.092	4	119.3756	0.226	8	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a])	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	119.8640	0.000	1	119.8640	0.000	1	119.4853	0.092	4	119.3756	0.226	8	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)2	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)2{2|H<1>,8|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	118.8570	0.020	2	118.8570	0.000	2	118.8570	0.000	2	119.3756	0.226	8	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|H<1>,3|C<3>}	120.1930	0.000	1	120.1930	0.000	1	120.1930	0.000	1	119.3756	0.226	8	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]B[6a])(C[6a]C[6a]C)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]B[6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	116.0810	0.000	1	116.0810	0.000	1	116.5160	0.378	2	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]B[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]B[6a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,4|C<3>}	116.9510	0.000	1	116.9510	0.000	1	116.5160	0.378	2	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)	C[6a,6a](N[6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2){1|S<2>,3|H<1>,6|C<3>}	C[6a,6a](N[6a]C[5,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	120.6390	0.000	1	120.6390	0.000	1	120.6390	0.000	1	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]B[3x6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[3x6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]B[3x6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.6630	0.000	1	117.6630	0.000	1	117.6630	0.000	1	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.1540	0.000	1	118.1540	0.000	1	118.1540	0.000	1	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.8920	0.298	4	117.8920	0.089	4	118.2115	0.638	6	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.8505	1.303	2	118.8505	1.698	2	118.2115	0.638	6	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.3710	0.000	1	119.3710	0.000	1	118.5343	0.894	19	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.4140	0.826	2	119.4140	0.682	2	118.5343	0.894	19	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	117.9090	0.000	1	118.6095	0.981	2	118.5343	0.894	19	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	119.3100	0.000	1	118.6095	0.981	2	118.5343	0.894	19	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.7960	0.680	4	117.7960	0.462	4	118.5343	0.894	19	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.1575	0.194	2	118.4509	0.816	8	118.5343	0.894	19	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.2153	0.932	6	118.4509	0.816	8	118.5343	0.894	19	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.8660	0.000	1	117.8660	0.000	1	118.5343	0.894	19	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	120.0770	0.000	1	120.0770	0.000	1	118.5343	0.894	19	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[3x6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.3825	1.344	2	118.3825	1.807	2	118.3825	1.807	2	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	119.5530	0.000	1	118.2680	1.411	3	118.2680	1.411	3	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	117.6255	0.588	2	118.2680	1.411	3	118.2680	1.411	3	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]Ir)(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]Ir)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|Ir<6>,1|H<1>,1|N<4>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|Ir<6>,1|N<4>,2|C<4>,3|C<3>}	117.8520	0.000	1	117.8520	0.000	1	117.8520	0.000	1	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	119.7030	0.000	1	119.7030	0.000	1	119.7030	0.000	1	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.3300	0.000	2	118.3300	0.000	2	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	119.5945	0.821	4	119.4980	0.552	5	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	119.1120	0.000	1	119.4980	0.552	5	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	119.5810	0.000	1	119.7065	0.032	2	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|F<1>,1|H<1>,1|O<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	119.8320	0.000	1	119.7065	0.032	2	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	119.4050	0.000	1	119.4050	0.000	1	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	118.4250	0.000	1	118.4250	0.000	1	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	119.6650	0.000	1	119.6650	0.000	1	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	117.9535	0.402	2	118.3487	0.404	6	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Si<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	118.2470	0.000	1	118.3487	0.404	6	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Si<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.9650	0.000	1	118.3487	0.404	6	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.5230	0.000	1	118.3487	0.404	6	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	118.4500	0.000	1	118.3487	0.404	6	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	121.7420	0.000	1	121.7420	0.000	1	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	119.6460	0.000	1	119.6460	0.000	1	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)2{1|O<1>,2|H<1>,4|C<3>}	117.4710	0.000	1	118.1705	0.979	2	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|Cl<1>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)2{1|O<1>,2|H<1>,4|C<3>}	118.8700	0.000	1	118.1705	0.979	2	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	119.3260	0.403	2	119.6875	0.332	4	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	119.6540	0.000	1	119.6875	0.332	4	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	120.4440	0.000	1	119.6875	0.332	4	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]S){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,1|S<2>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	117.6380	0.000	1	117.6380	0.000	1	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.5840	0.000	1	118.3920	0.074	2	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|Si<4>,3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.2000	0.000	1	118.3920	0.074	2	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{2|N<2>,4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)2{5|C<3>}	120.0410	0.000	1	120.0410	0.000	1	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	119.5360	0.000	1	119.5360	0.000	1	119.0848	0.929	31	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](N[6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[6a,6a](N[6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	115.6420	0.000	1	115.6420	0.000	1	115.6420	0.000	1	118.6566	1.251	69	119.1080	2.475	85	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	119.8469	0.830	7	119.8469	0.689	7	120.2017	1.407	11	120.2017	1.407	11	120.2017	1.407	11	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	123.1510	0.000	1	123.1510	0.000	1	120.2017	1.407	11	120.2017	1.407	11	120.2017	1.407	11	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	120.4060	0.000	1	120.2435	0.053	2	120.2017	1.407	11	120.2017	1.407	11	120.2017	1.407	11	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,3|H<1>,4|C<3>}	120.0810	0.000	1	120.2435	0.053	2	120.2017	1.407	11	120.2017	1.407	11	120.2017	1.407	11	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,3|H<1>,4|C<3>}	119.6530	0.000	1	119.6530	0.000	1	120.2017	1.407	11	120.2017	1.407	11	120.2017	1.407	11	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	2:3:3:	3:3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(O)	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(O){4|C<3>}	119.9450	0.000	1	119.9450	0.000	1	119.9450	0.000	1	119.9450	0.000	1	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	2:3:3:	3:3:3:	3:3:4:	N[6a]-2:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(CH3)	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(CH3){4|C<3>}	123.7780	0.000	1	123.7780	0.000	1	123.7780	0.000	1	123.7780	0.000	1	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N[6a])(O)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N[6a])(O){1|C<4>,1|N<2>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	121.1670	0.000	1	121.1670	0.000	1	121.6486	0.591	5	121.7763	0.564	8	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|O<2>,4|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	120.7410	0.000	1	121.7690	0.691	4	121.6486	0.591	5	121.7763	0.564	8	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|S<2>,4|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	121.5520	0.000	1	121.7690	0.691	4	121.6486	0.591	5	121.7763	0.564	8	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|N<3>,4|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	122.3915	0.441	2	121.7690	0.691	4	121.6486	0.591	5	121.7763	0.564	8	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O){1|H<1>,5|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	121.9890	0.826	3	121.9890	0.682	3	121.9890	0.682	3	121.7763	0.564	8	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O){1|H<1>,5|C<3>}	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	119.6984	1.026	10	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(O){1|Cl<1>,3|C<3>}	119.4140	0.000	1	119.4140	0.000	1	119.4140	0.000	1	119.6984	1.026	10	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){5|C<3>}	118.8630	0.540	2	118.8630	0.292	2	119.2643	1.303	4	119.6984	1.026	10	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){2|Cl<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)2{1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){5|C<3>}	118.4460	0.000	1	118.4460	0.000	1	119.2643	1.303	4	119.6984	1.026	10	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|F<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){5|C<3>}	120.8850	0.000	1	120.8850	0.000	1	119.2643	1.303	4	119.6984	1.026	10	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]N[6a])	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]N[6a]){1|Br<1>,1|H<1>,4|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	121.0080	0.000	1	121.0080	0.000	1	121.0080	0.000	1	119.6984	1.026	10	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(O){1|H<1>,3|C<3>}	119.5020	1.263	2	119.5020	1.595	2	119.9170	1.314	3	119.6984	1.026	10	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(O){1|H<1>,3|C<3>}	120.7470	0.000	1	120.7470	0.000	1	119.9170	1.314	3	119.6984	1.026	10	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	122.0060	0.000	1	122.0060	0.000	1	121.9600	0.004	2	121.7670	0.240	15	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	121.9140	0.000	1	121.9140	0.000	1	121.9600	0.004	2	121.7670	0.240	15	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[5]C[5]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[5]C[5]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	122.0407	0.476	3	122.0407	0.226	3	122.0407	0.226	3	121.7670	0.240	15	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.7260	0.221	2	121.7299	0.311	8	121.6463	0.273	10	121.7670	0.240	15	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	122.1800	0.392	3	121.7299	0.311	8	121.6463	0.273	10	121.7670	0.240	15	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.2823	0.555	3	121.7299	0.311	8	121.6463	0.273	10	121.7670	0.240	15	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.3130	0.000	1	121.3130	0.000	1	121.6463	0.273	10	121.7670	0.240	15	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]N[6a]N[6])(C[6a]C[5,6a]O)(C[6a]C[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[5,6a]O)(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.3110	0.000	1	121.3110	0.000	1	121.6463	0.273	10	121.7670	0.240	15	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	123.0450	0.000	1	123.0450	0.000	1	123.0450	0.000	1	123.0450	0.000	1	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2{1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|O<1>,3|C<3>}	117.2410	0.998	2	117.2410	0.997	2	117.2410	0.997	2	117.2410	0.997	2	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C[6a])(O)	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	120.0730	0.000	1	120.0730	0.000	1	120.0730	0.000	1	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	117.1925	0.158	2	117.1925	0.025	2	117.1925	0.025	2	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]C[6a])(O)	C[6a](N[6a]C[6,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[6a]C[6,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	115.2340	0.000	1	115.2340	0.000	1	115.2340	0.000	1	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	116.0520	0.750	3	116.1393	0.405	4	116.5162	0.621	6	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|N<3>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	116.4010	0.000	1	116.1393	0.405	4	116.5162	0.621	6	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	117.2700	0.430	2	117.2700	0.185	2	116.5162	0.621	6	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	116.7085	0.128	2	116.7085	0.016	2	116.7085	0.016	2	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[5a,6a]-3:O-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O){1|O<2>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	116.0580	0.000	1	116.0580	0.000	1	116.0580	0.000	1	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	118.0340	0.000	1	118.0340	0.000	1	118.0340	0.000	1	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(O){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	116.9730	0.000	1	116.9730	0.000	1	117.2165	0.119	2	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	117.4600	0.000	1	117.4600	0.000	1	117.2165	0.119	2	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O){1|C<4>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.6760	0.000	1	114.6760	0.000	1	116.0111	1.246	21	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	115.2700	0.000	1	115.2700	0.000	1	116.0111	1.246	21	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	116.5976	1.244	5	116.5976	1.547	5	116.0111	1.246	21	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	116.4010	1.103	3	116.3257	0.834	4	116.0111	1.246	21	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	116.1000	0.000	1	116.3257	0.834	4	116.0111	1.246	21	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	117.9100	0.000	1	117.9100	0.000	1	116.0111	1.246	21	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	117.2200	0.000	1	117.2200	0.000	1	116.0111	1.246	21	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)2{1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|C<4>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	115.7850	0.294	2	115.7850	0.087	2	116.0111	1.246	21	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	114.3410	0.000	1	114.3410	0.000	1	116.0111	1.246	21	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	114.9110	0.338	2	114.9110	0.114	2	116.0111	1.246	21	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	115.1340	0.000	1	115.1340	0.000	1	116.0111	1.246	21	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	116.4630	0.000	1	116.0000	0.429	2	116.0111	1.246	21	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	115.5370	0.000	1	116.0000	0.429	2	116.0111	1.246	21	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	117.2670	0.000	1	117.2670	0.000	1	117.1023	1.122	6	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	118.4060	0.000	1	118.4060	0.000	1	117.1023	1.122	6	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	115.7300	0.000	1	115.7300	0.000	1	117.1023	1.122	6	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	115.9170	0.000	1	117.0703	0.998	3	117.1023	1.122	6	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	117.6470	0.021	2	117.0703	0.998	3	117.1023	1.122	6	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	114.7490	0.000	1	114.7490	0.000	1	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|F<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	116.5280	0.000	1	116.5280	0.000	1	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	120.1868	0.349	5	120.1868	0.122	5	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|N<3>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	116.7170	0.000	1	116.3850	0.220	2	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	116.0530	0.000	1	116.3850	0.220	2	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Br<1>,1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(N[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	117.3895	0.426	2	117.3895	0.182	2	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	117.4470	0.000	1	118.3205	0.540	6	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|O<2>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.9320	0.418	3	118.3205	0.540	6	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	117.8400	0.069	2	118.3205	0.540	6	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	117.3160	0.000	1	117.2175	0.918	4	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	117.5030	1.461	2	117.2175	0.918	4	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	116.5480	0.000	1	117.2175	0.918	4	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	115.9280	0.000	1	115.9280	0.000	1	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.2230	0.000	1	117.2230	0.000	1	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){2|H<1>,2|O<1>,3|C<3>}	117.1292	0.471	11	117.0247	0.332	12	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|O<1>,1|P<4>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){2|H<1>,2|O<1>,3|C<3>}	115.8760	0.000	1	117.0247	0.332	12	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]F)2(N[6a]C[6a]2){2|F<1>,2|O<1>,3|C<3>}	116.8465	1.529	2	116.8465	2.339	2	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	117.6125	0.549	2	117.4962	1.619	26	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	117.2250	1.687	8	117.4962	1.619	26	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){2|H<1>,2|O<1>,3|C<3>}	117.6172	1.138	16	117.4962	1.619	26	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	116.0410	0.000	1	116.0410	0.000	1	117.5099	1.786	64	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]H){1|N<3>,2|C<3>,4|O<1>}	116.6395	1.324	2	116.6395	1.754	2	116.6395	1.754	2	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:S-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]S)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]S)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(S){1|H<1>,1|S<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){2|H<1>,2|S<1>,3|C<3>}	117.2305	0.688	2	117.2305	0.473	2	117.2305	0.473	2	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	116.8570	0.000	1	116.8570	0.000	1	119.1538	2.041	22	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	118.4748	0.439	8	118.4748	0.192	8	119.1538	2.041	22	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	118.4030	0.000	1	118.4030	0.000	1	119.1538	2.041	22	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	116.7090	0.000	1	116.7090	0.000	1	119.1538	2.041	22	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	118.4300	0.000	1	118.6115	0.066	2	119.1538	2.041	22	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	118.7930	0.000	1	118.6115	0.066	2	119.1538	2.041	22	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]2)(H){1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	120.1700	0.000	1	120.1700	0.000	1	119.1538	2.041	22	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2{2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(N[6a]C[6a]2){2|F<1>,2|H<1>,3|C<3>}	120.0330	1.288	2	120.0330	1.660	2	119.1538	2.041	22	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){3|C<3>,4|H<1>}	120.6928	1.176	6	120.6928	1.382	6	119.1538	2.041	22	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	119.0661	0.671	7	119.0661	0.451	7	118.9766	0.844	12	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	118.8197	1.464	4	118.8197	2.143	4	118.9766	0.844	12	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	118.9770	0.000	1	118.9770	0.000	1	118.9766	0.844	12	117.5659	2.480	145	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	2:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|N<2>,1|O<1>,3|C<3>}	120.7260	0.000	1	120.7260	0.000	1	120.7260	0.000	1	120.7260	0.000	1	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:Se-2:	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(SeSe)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|C<4>,1|N<2>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(SeSe){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	119.2355	0.316	2	119.2355	0.100	2	119.2355	0.100	2	119.2355	0.100	2	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	116.9840	0.000	1	116.9840	0.000	1	116.9840	0.000	1	117.7093	3.947	18	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	116.7570	0.000	1	116.7570	0.000	1	116.7570	0.000	1	117.7093	3.947	18	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	118.4590	0.000	1	118.4590	0.000	1	118.1790	0.062	4	117.7093	3.947	18	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	117.8630	0.000	1	117.8630	0.000	1	118.1790	0.062	4	117.7093	3.947	18	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	118.2540	0.000	1	118.2540	0.000	1	118.1790	0.062	4	117.7093	3.947	18	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	118.1400	0.000	1	118.1400	0.000	1	118.1790	0.062	4	117.7093	3.947	18	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,3|C<3>}	115.5555	0.442	2	115.5555	0.195	2	116.8858	2.818	10	117.7093	3.947	18	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	115.8270	0.000	1	115.8270	0.000	1	116.8858	2.818	10	117.7093	3.947	18	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,3|C<3>}	115.8190	0.134	2	115.8190	0.018	2	116.8858	2.818	10	117.7093	3.947	18	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	117.4940	0.000	1	117.4940	0.000	1	116.8858	2.818	10	117.7093	3.947	18	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	119.7640	0.000	1	119.7640	0.000	1	116.8858	2.818	10	117.7093	3.947	18	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	118.0220	0.000	1	118.0220	0.000	1	116.8858	2.818	10	117.7093	3.947	18	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	119.4390	0.000	1	119.4390	0.000	1	116.8858	2.818	10	117.7093	3.947	18	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]C[6a]S){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	115.5630	0.000	1	115.5630	0.000	1	116.8858	2.818	10	117.7093	3.947	18	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|C<4>,1|N<2>,2|C<3>,2|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|Se<2>,1|C<4>,1|N<3>,2|N<2>}	121.7265	0.426	2	121.7265	0.182	2	121.7265	0.182	2	117.7093	3.947	18	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:S-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(SC[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]C[6a]S){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(SC[6a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	121.0200	0.000	1	121.0200	0.000	1	121.0200	0.000	1	121.0200	0.000	1	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	121.2400	0.000	1	121.2400	0.000	1	121.2400	0.000	1	121.8470	0.411	3	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2{3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	122.1505	0.520	2	122.1505	0.270	2	122.1505	0.270	2	121.8470	0.411	3	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCCH)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCCH){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	120.4220	0.000	1	120.4220	0.000	1	120.4220	0.000	1	120.4220	0.000	1	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>}	119.1380	0.000	1	119.1380	0.000	1	118.8315	0.236	6	118.8210	0.197	8	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(H){1|O<1>,4|C<3>}	118.7702	0.517	5	118.7702	0.267	5	118.8315	0.236	6	118.8210	0.197	8	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Br<1>,1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(N[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(O){1|N<3>,1|O<1>,3|C<3>}	118.7895	0.441	2	118.7895	0.194	2	118.7895	0.194	2	118.8210	0.197	8	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(OC[6a]){1|N<3>,1|O<1>,3|C<3>}	120.7790	0.000	1	120.7790	0.000	1	120.9847	0.757	17	120.9847	0.757	17	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC){1|O<1>,4|C<3>}	120.2360	0.000	1	120.3770	0.040	2	120.9847	0.757	17	120.9847	0.757	17	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC){1|O<1>,4|C<3>}	120.5180	0.000	1	120.3770	0.040	2	120.9847	0.757	17	120.9847	0.757	17	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|N<3>,1|O<1>,3|C<3>}	120.0230	0.000	1	120.9399	0.638	9	120.9847	0.757	17	120.9847	0.757	17	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	121.4357	0.750	4	120.9399	0.638	9	120.9847	0.757	17	120.9847	0.757	17	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	119.9720	0.000	1	120.9399	0.638	9	120.9847	0.757	17	120.9847	0.757	17	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	121.5110	0.000	1	120.9399	0.638	9	120.9847	0.757	17	120.9847	0.757	17	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|N<3>,1|O<1>,3|C<3>}	120.3760	0.000	1	120.9399	0.638	9	120.9847	0.757	17	120.9847	0.757	17	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,1|O<2>,3|C<3>}	120.8340	0.000	1	120.9399	0.638	9	120.9847	0.757	17	120.9847	0.757	17	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	121.3496	1.172	5	121.3496	1.374	5	120.9847	0.757	17	120.9847	0.757	17	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(NCH){1|N<3>,1|O<1>,3|C<3>}	119.4170	0.000	1	119.4170	0.000	1	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|N<3>,1|O<1>,3|C<3>}	121.0640	0.000	1	121.2455	0.069	6	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	121.5640	0.000	1	121.2455	0.069	6	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	121.3305	0.316	2	121.2455	0.069	6	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	120.9360	0.000	1	121.2455	0.069	6	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,1|S<2>,3|C<3>}	121.2480	0.000	1	121.2455	0.069	6	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|N<3>,1|O<1>,3|C<3>}	119.5290	0.000	1	120.2888	0.666	9	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	121.1800	0.000	1	120.2888	0.666	9	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	120.7340	0.000	1	120.2888	0.666	9	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	120.1550	0.000	1	120.2888	0.666	9	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,1|S<2>,3|C<3>}	120.2002	0.962	5	120.2888	0.666	9	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]2){1|O<1>,1|S<2>,3|C<3>}	120.8100	0.000	1	120.8100	0.000	1	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H){1|O<1>,1|O<2>,3|C<3>}	119.5730	0.000	1	120.1990	0.784	2	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H){1|O<1>,1|S<2>,3|C<3>}	120.8250	0.000	1	120.1990	0.784	2	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(NCC){1|O<1>,1|O<2>,3|C<3>}	121.7780	0.000	1	121.7780	0.000	1	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	120.2620	0.000	1	120.2620	0.000	1	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NC[6a]H){1|O<1>,4|C<3>}	121.0030	0.263	2	121.0030	0.069	2	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	121.7700	0.000	1	121.7700	0.000	1	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	121.5670	0.000	1	121.5670	0.000	1	120.7232	0.642	25	120.7232	0.642	25	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]Br)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){2|Br<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	121.2095	0.740	2	121.2095	0.548	2	120.7827	0.597	14	120.7827	0.597	14	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	120.9357	1.153	4	120.9357	1.330	4	120.7827	0.597	14	120.7827	0.597	14	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	121.0807	0.625	3	121.0807	0.391	3	120.7827	0.597	14	120.7827	0.597	14	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,1|I<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	120.1882	0.320	4	120.1882	0.102	4	120.7827	0.597	14	120.7827	0.597	14	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CCHN)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CCHN){1|O<1>,4|C<3>}	120.8010	0.000	1	120.8010	0.000	1	120.7827	0.597	14	120.7827	0.597	14	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5a,6a]C[6a])(N[6a]C[6a])(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a]C[6a])(N[6a]C[6a])(O){1|N<2>,1|N<3>,3|C<3>}	121.1270	0.000	1	121.1270	0.000	1	121.1270	0.000	1	116.6592	7.435	9	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){2|C<4>,3|C<3>}	116.9510	0.000	1	116.9510	0.000	1	117.4420	0.482	2	116.6592	7.435	9	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(C[6a]N[6a]O){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){1|N<3>,4|C<3>}	117.9330	0.000	1	117.9330	0.000	1	117.4420	0.482	2	116.6592	7.435	9	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){2|C<4>,3|C<3>}	117.3810	0.000	1	117.6703	0.115	3	115.6214	7.929	5	116.6592	7.435	9	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){2|C<4>,3|C<3>}	118.0430	0.000	1	117.6703	0.115	3	115.6214	7.929	5	116.6592	7.435	9	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){2|C<4>,3|C<3>}	117.5870	0.000	1	117.6703	0.115	3	115.6214	7.929	5	116.6592	7.435	9	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]N[6a]O){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|Fe<8>,1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>}	112.5480	0.018	2	112.5480	0.000	2	115.6214	7.929	5	116.6592	7.435	9	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:O[6a]-2:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a]2)(O[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a]2)(O[6a]C[6a])(O){1|O<1>,4|C<3>}	115.8150	0.000	1	115.8150	0.000	1	115.8150	0.000	1	116.6592	7.435	9	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2	C[6a](N[6a]B[6a]C[6a])2(H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H){1|B<3>,3|C<4>,5|C<3>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](N[6a]B[6a]C[6a])2(H){7|C<3>}	115.9620	0.140	2	115.9620	0.020	2	115.1442	1.160	4	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2	C[6a](N[6a]B[6a]C[6a])2(H)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H){1|B<3>,3|C<3>,3|C<4>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	C[6a](N[6a]B[6a]C[6a])2(H){2|N<3>,5|C<3>}	114.3265	0.886	2	114.3265	0.785	2	115.1442	1.160	4	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6a]C[5,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O){1|O<1>,2|N<3>,4|C<3>}	115.3290	0.000	1	115.3290	0.000	1	115.3290	0.000	1	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	113.6800	0.000	1	115.7261	0.912	9	115.7261	0.912	9	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	115.9819	0.608	8	115.7261	0.912	9	115.7261	0.912	9	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|O<1>,4|C<3>}	119.0850	0.369	2	119.0850	0.136	2	119.0850	0.136	2	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){1|H<1>,6|C<3>}	115.9190	0.000	1	115.9190	0.000	1	115.9190	0.000	1	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	117.3570	0.000	1	117.3570	0.000	1	117.3570	0.000	1	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)2{1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	117.5200	1.097	2	117.5200	1.204	2	117.4046	0.489	9	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){7|C<3>}	116.4210	0.000	1	116.4210	0.000	1	117.4046	0.489	9	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|C<4>,4|C<3>}	117.6430	0.424	2	117.6430	0.180	2	117.4046	0.489	9	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){4|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<4>,4|C<3>}	116.8310	0.000	1	116.8310	0.000	1	117.4046	0.489	9	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,4|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(O){4|C<3>}	118.4420	0.000	1	118.4420	0.000	1	117.4046	0.489	9	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(O){1|N<2>,3|C<3>}	117.3105	0.021	2	117.3105	0.000	2	117.4046	0.489	9	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	116.0580	0.000	1	116.3427	0.775	3	116.1920	0.900	7	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	116.4850	1.195	2	116.3427	0.775	3	116.1920	0.900	7	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<2>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<2>,1|H<1>,5|C<3>}	117.6820	0.000	1	116.3947	1.269	3	116.1920	0.900	7	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,5|C<3>}	115.9130	0.000	1	116.3947	1.269	3	116.1920	0.900	7	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,5|C<3>}	115.5890	0.000	1	116.3947	1.269	3	116.1920	0.900	7	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]Si)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]Si){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|Si<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|Si<4>,1|H<1>,5|C<3>}	115.1320	0.000	1	115.1320	0.000	1	116.1920	0.900	7	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	C[6a](B[6a]C[6a]2)(N[6a]C[6a]2)(H)	N[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|B<3>,1|C<4>,2|C<3>,3|H<1>}	C[6a](B[6a]C[6a]2)(N[6a]C[6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	116.1260	0.544	2	116.1260	0.296	2	116.1260	0.296	2	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	118.3640	0.000	1	118.3640	0.000	1	116.9485	4.007	2	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]N[6])(C[6a]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O)	N[6a](C[6a]N[6a]N[6])(C[6a]C[5,6a]O)(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	115.5330	0.000	1	115.5330	0.000	1	116.9485	4.007	2	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	114.5350	0.000	1	115.3320	0.777	3	115.9709	1.136	23	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){2|C<3>,2|N<2>,2|N<3>}	116.2790	0.000	1	115.3320	0.777	3	115.9709	1.136	23	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<3>,2|N<2>,4|C<3>}	115.1820	0.000	1	115.3320	0.777	3	115.9709	1.136	23	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	115.0450	0.000	1	115.0168	0.798	4	115.9709	1.136	23	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	115.0073	1.094	3	115.0168	0.798	4	115.9709	1.136	23	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	116.6015	0.767	2	116.6015	0.589	2	115.9709	1.136	23	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<2>,2|O<2>,4|C<3>}	116.3960	0.000	1	116.3960	0.000	1	115.9709	1.136	23	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,5|C<3>}	116.0258	0.252	4	116.0258	0.063	4	115.9709	1.136	23	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	117.6520	0.682	2	117.6520	0.465	2	115.9709	1.136	23	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	117.5175	0.858	2	117.5175	0.736	2	115.9709	1.136	23	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	114.9060	0.139	2	114.9060	0.019	2	115.9709	1.136	23	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	115.8050	0.450	3	115.8050	0.202	3	115.9709	1.136	23	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|O<2>,2|H<1>,5|C<3>}	116.0785	0.712	2	115.8090	0.471	3	115.8090	0.471	3	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|O<2>,2|H<1>,5|C<3>}	115.2700	0.000	1	115.8090	0.471	3	115.8090	0.471	3	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]Br)2(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){2|Br<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	115.6865	0.233	2	115.6865	0.054	2	117.0777	0.686	44	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	116.5965	0.926	4	116.5965	0.858	4	117.0777	0.686	44	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	116.0493	0.983	3	116.0493	0.967	3	117.0777	0.686	44	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,1|I<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	117.1200	0.373	4	117.1200	0.139	4	117.0777	0.686	44	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	117.4810	0.000	1	117.4810	0.000	1	117.0777	0.686	44	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	117.7870	0.151	2	117.7870	0.023	2	117.0777	0.686	44	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	117.5250	0.000	1	117.5250	0.000	1	117.0777	0.686	44	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	117.2620	0.574	6	117.2620	0.329	6	117.0777	0.686	44	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	117.0835	0.585	2	117.1518	0.412	8	117.0777	0.686	44	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	117.1745	0.711	6	117.1518	0.412	8	117.0777	0.686	44	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	117.1908	0.818	8	117.1908	0.670	8	117.0777	0.686	44	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[6a]C[6a]2){1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	117.7690	1.106	4	117.7690	1.224	4	117.0777	0.686	44	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	117.0640	0.000	1	117.0640	0.000	1	117.0777	0.686	44	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>}	119.0540	0.260	2	119.0540	0.068	2	118.6039	0.946	17	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	118.9560	0.000	1	118.2235	0.364	13	118.6039	0.946	17	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	118.1624	0.587	12	118.2235	0.364	13	118.6039	0.946	17	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2{1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	120.6265	0.483	2	120.6265	0.233	2	118.6039	0.946	17	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(O){2|C<4>,3|C<3>}	115.7580	0.064	2	115.7580	0.004	2	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(O){5|C<3>}	115.4200	0.000	1	115.4200	0.000	1	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]2)(O){1|N<3>,4|C<3>}	114.4490	0.000	1	114.4490	0.000	1	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]2)(O){7|C<3>}	117.6000	0.795	2	117.6000	0.632	2	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){2|C<4>,3|C<3>}	115.0830	0.000	1	115.3040	0.098	2	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|H<1>,4|C<3>}	115.5250	0.000	1	115.3040	0.098	2	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,3|C<3>}	117.1660	0.000	1	117.1660	0.000	1	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	118.0290	0.000	1	118.7512	0.195	13	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	118.8114	0.401	12	118.7512	0.195	13	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	120.5220	0.000	1	120.5220	0.000	1	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	119.6440	0.000	1	119.3110	0.222	2	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	118.9780	0.000	1	119.3110	0.222	2	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	118.5970	0.000	1	118.5970	0.000	1	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,3|C<3>}	116.4380	0.000	1	116.3625	0.011	2	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|N<3>,1|S<2>,3|C<3>}	116.2870	0.000	1	116.3625	0.011	2	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|N<3>,1|O<1>,3|C<3>}	119.5360	0.000	1	119.5360	0.000	1	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|O<1>,1|O<2>,3|C<3>}	119.3190	0.000	1	119.3190	0.000	1	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){5|C<3>}	116.7680	0.000	1	116.7680	0.000	1	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]N[6a]Fe)(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>}	111.3382	0.234	6	111.3382	0.055	6	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|Ni<7>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|Ni<7>,1|N<3>,1|O<1>,2|C<3>}	112.1035	0.517	2	112.1035	0.267	2	116.5756	8.786	39	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O){7|C<3>}	113.5980	0.000	1	113.5980	0.000	1	113.5980	0.000	1	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a]2)2(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a]2)2(H){2|O<1>,5|C<3>}	118.4006	0.606	8	118.6292	0.796	12	118.6292	0.796	12	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a]2)2(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a]2)2(H){2|O<1>,5|C<3>}	119.0863	1.282	4	118.6292	0.796	12	118.6292	0.796	12	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]O){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O){5|C<3>}	117.1060	0.000	1	117.1060	0.000	1	117.5593	0.626	53	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]2)(O){1|N<2>,1|O<1>,3|C<3>}	117.2150	0.000	1	117.2150	0.000	1	117.5593	0.626	53	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O){1|O<1>,4|C<3>}	116.7250	0.000	1	116.7250	0.000	1	117.5593	0.626	53	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	119.1780	0.000	1	119.1780	0.000	1	117.5593	0.626	53	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]C)(O){1|C<4>,1|O<1>,3|C<3>}	115.5350	0.000	1	115.5350	0.000	1	117.5593	0.626	53	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|O<1>,4|C<3>}	116.8640	0.000	1	116.8640	0.000	1	117.5593	0.626	53	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|O<1>}	118.3945	0.800	2	118.3945	0.640	2	117.5593	0.626	53	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a]2)2(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6a]2)2(O){1|N<3>,2|O<1>,4|C<3>}	117.5829	0.712	45	117.5829	0.507	45	117.5593	0.626	53	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.9460	0.399	2	119.9460	0.159	2	119.9460	0.159	2	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]N[6])(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]N[6])(O){1|H<1>,3|C<3>,3|C<4>}	118.1040	0.000	1	118.1040	0.000	1	118.1040	0.000	1	117.0803	2.914	233	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]S){3|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC){1|O<1>,6|C<3>}	121.7620	0.000	1	121.7620	0.000	1	121.7620	0.000	1	120.3144	0.743	7	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:C-2:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CC)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<2>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CC){1|O<1>,4|C<3>}	119.3200	0.000	1	119.3200	0.000	1	119.3200	0.000	1	120.3144	0.743	7	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<1>,7|C<3>}	119.3160	0.000	1	119.3160	0.000	1	119.3160	0.000	1	120.3144	0.743	7	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	120.4380	0.505	2	120.4380	0.255	2	120.4380	0.255	2	120.3144	0.743	7	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCC){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	120.6200	0.000	1	120.6200	0.000	1	120.4635	0.049	2	120.3144	0.743	7	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCH){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	120.3070	0.000	1	120.3070	0.000	1	120.4635	0.049	2	120.3144	0.743	7	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|Br<1>,1|C<4>,2|H<1>,7|C<3>}	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	119.1445	0.523	2	119.1445	0.273	2	119.1445	0.273	2	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)2{2|H<1>,8|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	119.9655	0.243	2	119.9655	0.059	2	119.9655	0.059	2	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[5a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	120.0790	0.000	2	120.0790	0.000	2	120.0790	0.000	2	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO){1|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	120.3580	0.000	1	120.3580	0.000	1	120.4540	0.018	2	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CCC)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Si<4>,3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CCC){1|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	120.5500	0.000	1	120.5500	0.000	1	120.4540	0.018	2	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,3|H<1>,7|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	120.5660	0.000	1	120.5660	0.000	1	120.0193	0.711	3	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{2|N<2>,4|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)2{5|C<3>}	119.0480	0.000	1	119.0480	0.000	1	120.0193	0.711	3	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|Si<4>,3|H<1>,7|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	120.4440	0.000	1	120.4440	0.000	1	120.0193	0.711	3	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(N[6a]C[6a]2){1|C<2>,1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	122.2310	0.000	1	122.2310	0.000	1	122.2310	0.000	1	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(NCH){1|N<3>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	120.1840	0.000	1	120.1840	0.000	1	120.1840	0.000	1	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	117.3635	0.135	2	117.3635	0.018	2	117.3635	0.018	2	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	120.2280	0.000	1	120.2280	0.000	1	119.9417	0.265	3	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	119.7985	0.639	2	119.7985	0.408	2	119.9417	0.265	3	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(C[6a]N[6a]O){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH){1|N<2>,1|O<1>,3|C<3>}	119.8010	0.000	1	119.8010	0.000	1	119.8010	0.000	1	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]O){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(CHH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	117.9210	0.000	1	117.9210	0.000	1	117.9210	0.000	1	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)2{1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	119.8120	0.339	2	119.8120	0.115	2	120.3717	1.393	16	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	119.4525	0.050	2	119.4525	0.003	2	120.3717	1.393	16	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	121.6900	0.000	1	121.6900	0.000	1	120.3717	1.393	16	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	121.9610	0.000	1	121.9610	0.000	1	120.3717	1.393	16	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	120.9615	0.043	2	120.9615	0.002	2	120.3717	1.393	16	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	119.5210	0.000	1	119.5210	0.000	1	120.3717	1.393	16	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	119.5310	1.604	2	119.5310	2.572	2	120.3717	1.393	16	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	120.2610	0.000	1	120.2610	0.000	1	120.3717	1.393	16	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	120.9130	0.000	1	120.9130	0.000	1	120.3717	1.393	16	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2{3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	119.5600	0.660	2	119.5600	0.436	2	120.3717	1.393	16	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	122.9670	0.000	1	122.9670	0.000	1	120.3717	1.393	16	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	119.2610	0.000	1	119.2610	0.000	1	119.2878	0.170	4	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]2)(NHH)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	119.2110	0.000	1	119.2110	0.000	1	119.2878	0.170	4	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,1|S<2>,3|C<3>}	119.8390	0.000	1	119.8390	0.000	1	119.2878	0.170	4	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]S)(N[6a]C[6a]2)(NHH)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a]2)(NHH){1|H<1>,1|O<1>,3|C<3>}	118.8400	0.000	1	118.8400	0.000	1	119.2878	0.170	4	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(COO){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	120.7340	0.000	1	120.7340	0.000	1	120.7340	0.000	1	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ge[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CHH)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CHH){1|C<4>,1|N<3>,3|C<3>}	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	120.1870	0.000	1	120.1870	0.000	1	120.6375	0.406	2	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ge[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CHH)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CHH){1|C<4>,2|C<3>,2|N<3>}	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	121.0880	0.000	1	121.0880	0.000	1	120.6375	0.406	2	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Si[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](Si[6a]N[6a]Ir)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Si[6a]N[6a]Ir)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	116.0630	0.000	1	116.0630	0.000	1	116.7115	2.904	4	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Si[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,6|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH){1|C<4>,2|C<3>,2|N<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	115.3320	0.000	1	115.3320	0.000	1	116.7115	2.904	4	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Si[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](Si[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Si[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH){1|Ni<7>,1|C<4>,1|N<3>,2|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|Ni<7>,1|N<3>,2|H<1>,3|C<3>}	116.2540	0.000	1	116.2540	0.000	1	116.7115	2.904	4	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Si[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH){1|C<4>,1|N<3>,1|P<2>,2|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|N<3>,1|P<2>,2|H<1>,3|C<3>}	119.1970	0.000	1	119.1970	0.000	1	116.7115	2.904	4	119.7018	2.233	47	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](B[6a]C[6a,6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(CC3)	N[6a](B[6a]C[6a,6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2{1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(CC3){1|Br<1>,4|C<3>}	122.3407	0.594	4	122.3407	0.353	4	121.0464	3.426	7	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(CC3)	N[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,6|C<3>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(CC3){5|C<3>}	120.9240	0.000	1	120.9240	0.000	1	121.0464	3.426	7	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	B[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)(CH3)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]C)(CH3){1|C<4>,4|C<3>}	118.5190	0.061	2	118.5190	0.004	2	121.0464	3.426	7	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){1|O<1>,4|C<3>}	120.8550	0.000	1	120.8550	0.000	1	121.0240	1.148	4	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3){1|O<1>,4|C<3>}	120.3820	0.000	1	120.3820	0.000	1	121.0240	1.148	4	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){4|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3){1|O<1>,4|C<3>}	122.5860	0.000	1	122.5860	0.000	1	121.0240	1.148	4	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Si<4>,3|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CH3){1|O<1>,4|C<3>}	120.2730	0.000	1	120.2730	0.000	1	121.0240	1.148	4	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CCHH)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CCHH){1|O<1>,4|C<3>}	119.8580	0.000	1	119.8580	0.000	1	120.7967	0.661	3	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]2)(CCHH)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]2)(CCHH){1|O<1>,4|C<3>}	121.2560	0.000	1	121.2560	0.000	1	120.7967	0.661	3	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	121.2760	0.000	1	121.2760	0.000	1	120.7967	0.661	3	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:Si-4:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]Si)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]2)(SiC3)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]Si){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|Si<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]2)(SiC3){1|O<1>,4|C<3>}	119.8600	0.000	1	119.8600	0.000	1	119.8600	0.000	1	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5,6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	120.2390	0.221	2	120.2390	0.049	2	120.2390	0.049	2	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){1|H<1>,1|O<1>,3|C<3>}	120.0520	0.044	2	120.0520	0.002	2	120.3153	0.890	9	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|O<1>,3|C<3>}	121.9200	0.000	1	121.1160	1.293	2	120.3153	0.890	9	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|N<2>,1|O<1>,3|C<3>}	120.3120	0.000	1	121.1160	1.293	2	120.3153	0.890	9	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	121.3830	0.000	1	120.6330	0.768	3	120.3153	0.890	9	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	119.6700	0.000	1	120.6330	0.768	3	120.3153	0.890	9	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	120.8460	0.000	1	120.6330	0.768	3	120.3153	0.890	9	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3){1|C<4>,1|O<1>,3|C<3>}	119.8060	0.000	1	119.8060	0.000	1	120.3153	0.890	9	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|O<1>,3|C<3>}	118.7970	0.000	1	118.7970	0.000	1	120.3153	0.890	9	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	Ge[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3){2|N<3>,3|C<3>}	120.5830	0.000	1	120.5830	0.000	1	120.5830	0.000	1	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	Si[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](Si[6a]N[6a]Ir)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a](Si[6a]N[6a]Ir)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){1|Ir<6>,1|N<3>,3|C<3>}	118.0920	0.000	1	118.0920	0.000	1	117.7953	4.270	4	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	Si[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,6|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){2|N<3>,3|C<3>}	115.1860	0.000	1	115.1860	0.000	1	117.7953	4.270	4	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	Si[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](Si[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a](Si[6a]N[6a]Ni)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|Ni<7>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){1|Ni<7>,1|N<3>,3|C<3>}	117.6790	0.000	1	117.6790	0.000	1	117.7953	4.270	4	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	Si[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<2>,2|C<3>,2|H<1>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){1|N<3>,1|P<2>,3|C<3>}	120.2240	0.000	1	120.2240	0.000	1	117.7953	4.270	4	120.2823	2.580	31	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2)	N[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[6a]C[6a]2){1|B<3>,1|C<4>,2|C<3>,3|H<1>}	121.6550	0.486	2	121.6550	0.237	2	121.2338	0.450	13	121.2338	0.450	13	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)(CH3){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.9280	0.000	1	120.9280	0.000	1	121.2338	0.450	13	121.2338	0.450	13	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]2)(CH3){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.1250	0.000	1	120.1250	0.000	1	121.2338	0.450	13	121.2338	0.450	13	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CCHH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	122.8280	0.000	1	122.8280	0.000	1	121.2338	0.450	13	121.2338	0.450	13	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CCHH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	121.4630	0.000	1	121.4630	0.000	1	121.2338	0.450	13	121.2338	0.450	13	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	121.0550	0.334	7	121.0550	0.112	7	121.2338	0.450	13	121.2338	0.450	13	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	4:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-2:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	122.1790	0.000	1	122.1790	0.000	1	122.1790	0.000	1	122.1790	0.000	1	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:3:	4:3:1:	B[6a]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-4:N[6a]-3:O-1:	N[6a](B[6a]C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]H)2	C[6a](N[6a]C[6a,6a]CC)(N[6a]B[6a]C[6a])(O)	N[6a](B[6a]C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]O){2|C<4>,2|H<1>,8|C<3>}	C[6a](N[6a]B[6a]C[6a])(C[6a]C[6a]H)2{1|N<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]CC)(N[6a]B[6a]C[6a])(O){6|C<3>}	112.9860	0.000	1	112.9860	0.000	1	112.9860	0.000	1	112.9860	0.000	1	118.3497	4.927	615	118.6407	5.151	816
217	643	643	0:SP3_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	Ge[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3){1|N<3>,4|C<3>}	117.3040	0.000	1	117.3040	0.000	1	117.3040	0.000	1	117.3040	0.000	1	117.3040	0.000	1	117.3040	0.000	1
217	643	643	6:SP2_SP2_SP2	N[3x6a]	C[3x6a]	C[3x6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[3x6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[3x6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[3x6a]-3:	N[3x6a](C[3x6a]C[6a,6a]2)3	C[3x6a](C[6a,6a]C[6a]O[6a])2(N[3x6a]C[3x6a]2)	C[3x6a](C[6a,6a]C[6a]O[6a])2(N[3x6a]C[3x6a]2)	N[3x6a](C[3x6a]C[6a,6a]2)3{3|O<2>,6|C<3>}	C[3x6a](C[6a,6a]C[6a]O[6a])2(N[3x6a]C[3x6a]2){2|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a]O[6a])2(N[3x6a]C[3x6a]2){2|H<1>,5|C<3>}	119.9927	0.249	3	119.9927	0.062	3	119.9927	0.062	3	119.9927	0.062	3	119.9927	0.062	3	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[3x6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:2:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[3x6a](C[6a,6a]N[6a]2)3	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]N[6a]2)3{1|H<1>,3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|O<1>,2|N<3>,3|N<2>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{3|N<2>,3|N<3>}	120.4860	0.000	1	120.0235	0.429	18	120.0235	0.429	18	120.0235	0.429	18	120.0490	0.812	22	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[3x6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:2:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[3x6a](C[6a,6a]N[6a]2)3	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]N[6a]2)3{3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,4|N<2>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,4|N<2>}	121.6650	0.000	1	120.0235	0.429	18	120.0235	0.429	18	120.0235	0.429	18	120.0490	0.812	22	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[3x6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:2:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[3x6a](C[6a,6a]N[6a]2)3	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]N[6a]2)3{3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,4|N<2>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|N<3>,4|N<2>}	119.1625	0.086	2	120.0235	0.429	18	120.0235	0.429	18	120.0235	0.429	18	120.0490	0.812	22	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[3x6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:2:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[3x6a](C[6a,6a]N[6a]2)3	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]N[6a]2)3{3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|Cl<1>,4|N<2>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|Cl<1>,4|N<2>}	119.9952	0.537	11	120.0235	0.429	18	120.0235	0.429	18	120.0235	0.429	18	120.0490	0.812	22	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[3x6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:2:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[3x6a](C[6a,6a]N[6a]2)3	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]N[6a]2)3{3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{6|N<2>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{6|N<2>}	120.0000	0.036	3	120.0235	0.429	18	120.0235	0.429	18	120.0235	0.429	18	120.0490	0.812	22	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[3x6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[3x6a]-3:C[6a]-3:N[6a]-2:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]N[6a]2)	C[6a,6a](N[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]N[6a]2){2|H<1>,3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,3|N<2>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|C<3>,2|C<4>,2|N<2>}	118.7160	0.000	1	118.7160	0.000	1	118.7160	0.000	1	119.3630	0.994	3	120.0490	0.812	22	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[3x6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[3x6a]-3:N[6a]-3:N[6a]-2:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[3x6a](C[6a,6a]N[6a]2)3	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]N[6a]2)3{1|H<1>,3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,4|N<2>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|O<1>,2|N<3>,3|N<2>}	120.5110	0.000	1	119.6865	1.360	2	119.6865	1.360	2	119.3630	0.994	3	120.0490	0.812	22	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[3x6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[3x6a]-3:N[6a]-3:N[6a]-2:	N[3x6a]-3:N[6a]-2:N[6a]-2:	N[3x6a](C[6a,6a]N[6a]2)3	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[3x6a](C[6a,6a]N[6a]2)3{1|H<1>,3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,4|N<2>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{3|N<2>,3|N<3>}	118.8620	0.000	1	119.6865	1.360	2	119.6865	1.360	2	119.3630	0.994	3	120.0490	0.812	22	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[3x6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[3x6a]-3:C[6a]-3:N[6a]-2:	N[3x6a]-3:C[6a]-3:N[6a]-2:	N[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]N[6a]2)	C[6a,6a](N[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a,6a](N[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[3x6a](C[6a,6a]C[6a]N[6a])2(C[6a,6a]N[6a]2){2|H<1>,3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,3|N<2>}	C[6a,6a](N[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,3|N<2>}	122.5670	0.000	1	122.5670	0.000	1	122.5670	0.000	1	122.5670	0.000	1	120.0490	0.812	22	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6,6a]	C[6,6,6a]	C[6a]	3:4:3:	4:3:2:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:N[6,6,6a]-3:N[6a]-2:	N[6,6,6a]-3:C[6a,6a]-3:O-1:	N[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]O)	C[6,6,6a](C[3x6]C[5,6,6]N[6,6]H)(N[6,6,6a]C[3x6]C[6a])(N[6a]C[6a,6a])	C[6a](N[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[5,6,6]N[6,6]H)(N[6,6,6a]C[3x6]C[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6a](N[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	125.5440	0.000	1	125.5440	0.000	1	125.5440	0.000	1	125.5440	0.000	1	125.5440	0.000	1	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6,6a]	C[6,6a,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6]-3:	N[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	N[6,6,6a]-3:C[6a,6a]-3:C[6]-3:	N[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6a]C[6])	C[6,6a,6a](N[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[6,6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H)	N[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6a]C[6]){2|H<1>,7|C<3>}	C[6,6a,6a](N[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,7|C<3>}	C[6,6a](N[6,6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H){1|H<1>,7|C<3>}	120.4320	0.000	1	120.4320	0.000	1	120.4320	0.000	1	120.4320	0.000	1	120.4320	0.000	1	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6,6a]	C[6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	N[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6,6a]-3:	N[6,6,6a](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(N[6,6,6a]C[6,6a]2)	N[6,6,6a](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,7|C<3>}	C[6,6a](N[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(N[6,6,6a]C[6,6a]2){1|N<2>,2|H<1>,6|C<3>}	120.1045	0.088	2	120.2750	0.081	4	120.2750	0.081	4	120.2750	0.081	4	120.2750	0.081	4	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6,6a]	C[6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	N[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6,6a]-3:	N[6,6,6a](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(N[6,6,6a]C[6,6a]2)	N[6,6,6a](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,7|C<3>}	C[6,6a](N[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(N[6,6,6a]C[6,6a]2){2|H<1>,7|C<3>}	120.4455	0.344	2	120.2750	0.081	4	120.2750	0.081	4	120.2750	0.081	4	120.2750	0.081	4	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6,6a]	C[6,6a]	C[6,6a]	3:3:3:	3:2:2:	3:2:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	N[6,6,6a]-3:N[6a]-2:N[6]-2:	N[6,6,6a]-3:N[6a]-2:N[6]-2:	N[6,6,6a](C[6,6a]N[6a]N[6])2(C[6,6]N[6]2)	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6])	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6])	N[6,6,6a](C[6,6a]N[6a]N[6])2(C[6,6]N[6]2){1|H<1>,3|C<3>}	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6]){1|N<3>,5|N<2>}	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6]){1|N<3>,5|N<2>}	119.9270	0.000	1	119.9270	0.000	1	119.9270	0.000	1	119.9270	0.000	1	120.1985	1.549	4	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6,6a]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	N[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6,6a](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](N[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6,6,6a](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|H<1>,7|C<3>}	C[6,6a](N[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6,6a](N[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	119.4400	0.474	2	119.4400	0.224	2	119.4400	0.224	2	120.2890	2.275	3	120.1985	1.549	4	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6,6a]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:Ge[6,6]-3:	N[6,6,6a]-3:C[6a]-3:C[6]-3:	N[6,6,6a]-3:C[6a]-3:C[6]-3:	N[6,6,6a](C[6,6a]C[6a]C[6])2(Ge[6,6]N[6]2)	C[6,6a](N[6,6,6a]C[6,6a]Ge[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[6,6,6a]C[6,6a]Ge[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6,6a](C[6,6a]C[6a]C[6])2(Ge[6,6]N[6]2){2|Si<4>,3|C<3>,4|H<1>}	C[6,6a](N[6,6,6a]C[6,6a]Ge[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|N<3>,3|C<3>}	C[6,6a](N[6,6,6a]C[6,6a]Ge[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|N<3>,3|C<3>}	121.9870	0.000	1	121.9870	0.000	1	121.9870	0.000	1	120.2890	2.275	3	120.1985	1.549	4	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a,6a]	C[6,6a]	C[6,6a]	3:3:3:	3:2:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	N[6,6a,6a]-3:N[6a]-2:N[6]-2:	N[6,6a,6a]-3:N[6a]-3:N[6]-2:	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6])	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6])	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2){1|H<1>,3|C<3>}	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]){1|N<3>,1|O<1>,1|O<2>,3|N<2>}	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6]){1|O<1>,1|O<2>,4|N<2>}	117.9140	0.152	3	117.9140	0.023	3	117.9140	0.023	3	117.9140	0.023	3	117.9140	0.023	3	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a,6a]	C[6,6a]	C[6a,6a]	3:3:3:	3:2:2:	3:2:2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	N[6,6a,6a]-3:N[6a]-2:N[6]-2:	N[6,6a,6a]-3:N[6a]-2:N[6a]-2:	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6])	C[6a,6a](N[6,6a,6a]C[6,6a]2)(N[6a]C[6a])2	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2){1|H<1>,3|C<3>}	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]){1|N<3>,1|O<1>,1|O<2>,3|N<2>}	C[6a,6a](N[6,6a,6a]C[6,6a]2)(N[6a]C[6a])2{1|N<3>,2|O<1>,3|N<2>}	120.6740	0.377	3	120.6740	0.142	3	120.6740	0.142	3	120.6740	0.142	3	121.0360	0.276	6	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a,6a]	C[6,6a]	C[6a,6a]	3:3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	N[6,6a,6a]-3:N[6a]-3:N[6]-2:	N[6,6a,6a]-3:N[6a]-2:N[6a]-2:	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6])	C[6a,6a](N[6,6a,6a]C[6,6a]2)(N[6a]C[6a])2	N[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2){1|H<1>,3|C<3>}	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6]){1|O<1>,1|O<2>,4|N<2>}	C[6a,6a](N[6,6a,6a]C[6,6a]2)(N[6a]C[6a])2{1|N<3>,2|O<1>,3|N<2>}	121.3980	0.393	3	121.3980	0.155	3	121.3980	0.155	3	121.3980	0.155	3	121.0360	0.276	6	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6a]-3:N[6,6]-3:	N[6,6a]-3:N[6a]-3:S-1:	N[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]N[6a]S)(C[6]C[6]HH)	C[6,6,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6a](N[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(S)	N[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]N[6a]S)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,2|N<3>,2|O<1>,2|S<1>,4|H<1>}	C[6a](N[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(S){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.1140	0.000	1	121.1140	0.000	1	121.1140	0.000	1	121.1140	0.000	1	121.1140	0.000	1	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a,6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6a,6a]-3:O[6]-2:	C[6,6a,6a]-3:C[3x6a]-3:N[6,6a]-3:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(O[6]O[6])	C[6,6a,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[3x6a]C[6a,6a]C[3x6a])(N[6,6a]C[6a,6a]O[6])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(O[6]O[6]){1|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[3x6a]C[6a,6a]C[3x6a])(N[6,6a]C[6a,6a]O[6]){1|O<2>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]O[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	120.9310	0.000	1	120.9310	0.000	1	120.9310	0.000	1	120.9310	0.000	1	121.0400	0.024	2	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-4:	C[6a,6a]-3:N[6,6a]-3:C[6,6a]-3:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6]C[6a])	C[6a,6a](N[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H){1|H<1>,1|N<2>,2|C<4>,7|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6]C[6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a,6a](N[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	121.1490	0.000	1	121.1490	0.000	1	121.1490	0.000	1	121.1490	0.000	1	121.0400	0.024	2	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2)	C[6a](N[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]C)(H)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]C)(H){1|O<1>,2|C<3>,2|C<4>}	122.3570	0.000	1	122.3570	0.000	1	122.3570	0.000	1	122.3570	0.000	1	120.8912	3.031	28	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:N[6,6a]-3:	N[6,6a]-3:C[6a]-3:C-3:	N[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(COO)	N[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){3|H<1>,6|C<3>}	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(COO){1|H<1>,4|C<3>}	119.5480	0.000	1	119.5480	0.000	1	119.5480	0.000	1	119.5480	0.000	1	120.8912	3.031	28	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	121.4290	0.000	1	121.4290	0.000	1	121.0216	3.121	7	120.8371	3.180	25	120.8912	3.031	28	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9537	1.925	6	120.9537	3.707	6	121.0216	3.121	7	120.8371	3.180	25	120.8912	3.031	28	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,2|C<4>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.9920	0.000	1	119.9920	0.000	1	119.6949	0.205	13	120.8371	3.180	25	120.8912	3.031	28	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.6702	0.464	12	119.6702	0.215	12	119.6949	0.205	13	120.8371	3.180	25	120.8912	3.031	28	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]S)(O)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	123.7030	0.000	1	123.7030	0.000	1	123.7030	0.000	1	120.8371	3.180	25	120.8912	3.031	28	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6,6a]-3:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6,6a,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]C[6])(O)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	124.3730	0.000	1	124.3730	0.000	1	123.6977	0.357	3	120.8371	3.180	25	120.8912	3.031	28	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6,6a]-3:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]C[6])(O)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	123.3600	0.171	2	123.3600	0.029	2	123.6977	0.357	3	120.8371	3.180	25	120.8912	3.031	28	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:N[6,6a]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6,6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(O){1|C<4>,2|C<3>,3|H<1>}	122.9460	0.000	1	122.9460	0.000	1	122.9460	0.000	1	120.8371	3.180	25	120.8912	3.031	28	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	N[6,6a]-3:C[6a]-3:C-4:	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	122.1220	0.000	1	122.1220	0.000	1	122.1220	0.000	1	122.1220	0.000	1	120.8912	3.031	28	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6,6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6,6a]-3:N[6]-2:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]O){2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	118.1190	0.048	3	118.1190	0.002	3	118.1190	0.002	3	118.1190	0.002	3	118.8095	0.759	11	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6,6a]-3:C[6,6a]-3:	N[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a](C[6,6a]N[6a]C[6])(C[6,6a]C[6,6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	N[6,6a](C[6,6a]N[6a]C[6])(C[6,6a]C[6,6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	C[6,6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(C[6]C[6]H){3|C<3>,3|H<1>}	119.7460	0.000	1	119.7460	0.000	1	119.7460	0.000	1	119.7460	0.000	1	118.8095	0.759	11	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6])	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]){2|H<1>,3|C<3>}	118.5500	0.000	2	118.5500	0.000	2	118.5500	0.000	2	118.9660	0.519	3	118.8095	0.759	11	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6a]-3:C[6,6a]-3:N[6a]-2:	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	119.7980	0.000	1	119.7980	0.000	1	119.7980	0.000	1	118.9660	0.519	3	118.8095	0.759	11	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]H){1|F<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]F){1|H<1>,2|F<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.5890	0.000	1	120.5890	0.000	1	120.5890	0.000	1	119.2047	1.713	3	118.8095	0.759	11	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){2|H<1>,3|C<3>}	119.0380	0.000	1	119.0380	0.000	1	118.5125	0.552	2	119.2047	1.713	3	118.8095	0.759	11	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	117.9870	0.000	1	117.9870	0.000	1	118.5125	0.552	2	119.2047	1.713	3	118.8095	0.759	11	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:B[3x6]-4:	N[6,6a]-3:C[6,6a]-3:C[6]-3:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(B[3x6]C[6,6]2C[6])	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]N[6,6]C[6a])(C[6]C[6]H)	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(B[3x6]C[6,6]2C[6]){1|N<3>,4|C<3>,5|C<4>,5|H<1>}	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]N[6,6]C[6a])(C[6]C[6]H){1|B<4>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	118.2890	0.000	1	118.2890	0.000	1	118.2890	0.000	1	118.2890	0.000	1	118.8095	0.759	11	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6a]C[6a])	C[6a,6a](N[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](N[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	118.0335	0.078	2	118.0335	0.006	2	118.0335	0.006	2	118.0335	0.006	2	118.0335	0.006	2	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:2:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](N[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](N[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](N[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6a](N[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.5940	0.000	1	122.5940	0.000	1	122.5940	0.000	1	122.5940	0.000	1	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]N)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|H<1>,2|C<3>,2|C<4>,2|N<2>}	120.9110	0.000	1	120.9110	0.000	1	120.9110	0.000	1	120.9110	0.000	1	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6,6a]-3:N[6]-2:	N[6,6a]-3:N[6a]-3:O-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6a](N[6,6a]C[6,6a]2)(N[6a]C[6a,6a]H)(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6a]N[6a]O){2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]2)(N[6a]C[6a,6a]H)(O){1|N<2>,4|C<3>}	121.2223	0.194	3	121.2223	0.038	3	121.2223	0.038	3	120.5124	0.443	11	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6])	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]){2|H<1>,3|C<3>}	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.1520	0.000	2	120.1520	0.000	2	120.1520	0.000	2	120.5124	0.443	11	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	121.2920	0.000	1	121.2920	0.000	1	121.2920	0.000	1	120.5124	0.443	11	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:N[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|H<1>,4|C<3>}	120.6050	0.000	1	120.6050	0.000	1	120.6050	0.000	1	120.5124	0.443	11	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|H<1>,3|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	120.0320	0.000	1	120.0320	0.000	1	120.0320	0.000	1	120.5124	0.443	11	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]Cl)(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.1560	0.543	2	120.1560	0.295	2	119.9120	0.326	3	120.5124	0.443	11	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]N)(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|C<3>,2|H<1>,2|N<3>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	119.4240	0.000	1	119.4240	0.000	1	119.9120	0.326	3	120.5124	0.443	11	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](N[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(H)	N[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](N[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.7730	0.000	1	120.7730	0.000	1	120.7730	0.000	1	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]H){1|F<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.9370	0.000	1	119.9370	0.000	1	119.9370	0.000	1	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.8370	0.000	1	119.8370	0.000	1	119.6735	0.053	2	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.5100	0.000	1	119.5100	0.000	1	119.6735	0.053	2	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](N[6,6a]C[6,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	120.0630	0.000	1	120.0630	0.000	1	120.0630	0.000	1	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]O){1|C<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	120.4920	0.000	1	120.4920	0.000	1	120.4920	0.000	1	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.6520	2.971	2	118.6520	8.828	2	118.6083	4.420	3	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.5210	0.000	1	118.5210	0.000	1	118.6083	4.420	3	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.3750	0.000	1	119.1813	0.241	4	119.1813	0.241	4	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.1167	0.580	3	119.1813	0.241	4	119.1813	0.241	4	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:N[6,6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[5,6a]C[5,6a]C[5])(N[6,6a]C[6a]C[6])(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(O)	N[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5])(N[6,6a]C[6a]C[6])(C[6]C[6]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(O){1|H<1>,4|C<3>}	123.2210	0.000	1	123.2210	0.000	1	123.2210	0.000	1	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6,6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)(N[6,6a]C[6a]C[6])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	N[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]2)(N[6,6a]C[6a]C[6]){2|H<1>,8|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	121.2480	0.000	1	121.2480	0.000	1	121.2480	0.000	1	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6,6a]-3:	C[5a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6,6a]C[6a]C[6])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6a]C[6]){1|S<2>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6,6a]C[6a]C[6]){1|H<1>,1|O<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6,6a]C[6,6a]C[6])(O){6|C<3>}	122.1770	0.000	1	122.1770	0.000	1	122.1770	0.000	1	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6,6a]-3:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|C<4>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6]){1|H<1>,1|O<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|H<1>,6|C<3>}	120.1410	0.000	1	120.1410	0.000	1	120.1410	0.000	1	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6,6a]-3:	N[6,6a]-3:C[6a,6a]-3:H-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6]){8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6]){2|H<1>,8|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(H){7|C<3>}	120.4860	0.000	1	120.4860	0.000	1	120.4860	0.000	1	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.8260	0.000	1	120.8260	0.000	1	120.8260	0.000	1	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]O)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]O)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(H){2|H<1>,5|C<3>}	120.4990	0.000	1	120.4990	0.000	1	120.4990	0.000	1	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(O){2|H<1>,5|C<3>}	120.4580	0.000	1	120.4580	0.000	1	120.4580	0.000	1	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(H){2|H<1>,5|C<3>}	119.0920	0.000	1	119.0920	0.000	1	119.0920	0.000	1	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.7210	0.000	1	120.7210	0.000	1	120.2280	0.260	5	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.7440	0.000	1	120.3150	0.368	2	120.2280	0.260	5	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.8860	0.000	1	120.3150	0.368	2	120.2280	0.260	5	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,4|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5850	0.000	1	119.5850	0.000	1	120.2280	0.260	5	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.2040	0.000	1	120.2040	0.000	1	120.2280	0.260	5	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:N[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.1670	0.000	1	122.1670	0.000	1	122.1670	0.000	1	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C){2|Si<4>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	120.1680	0.000	1	120.1030	0.008	2	120.5005	0.185	10	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C){2|Si<4>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.0380	0.000	1	120.1030	0.008	2	120.5005	0.185	10	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Mo)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Mo){2|Si<4>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Mo<9>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|Mo<9>,1|H<1>,1|N<3>,2|C<3>}	120.2510	0.000	1	120.2510	0.000	1	120.5005	0.185	10	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]N)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]N){2|Si<4>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){2|C<3>,2|H<1>,2|N<3>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	120.5555	0.934	2	120.5555	0.873	2	120.5005	0.185	10	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Se)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Se){2|Si<4>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,1|N<3>,2|C<3>}	120.8170	0.276	2	120.8170	0.076	2	120.5005	0.185	10	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Te)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Te){2|Si<4>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Te<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|Te<2>,1|H<1>,1|N<3>,2|C<3>}	120.4745	0.029	2	120.4745	0.001	2	120.5005	0.185	10	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]W)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]W){2|Si<4>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|N<3>,1|W<9>,2|C<3>,2|H<1>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|W<9>,2|C<3>}	120.8540	0.000	1	120.8540	0.000	1	120.5005	0.185	10	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]C[5]N[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]C[5]N[6])(C[6a]C[6a]H){2|Si<4>,3|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.4070	0.000	1	120.4070	0.000	1	120.1568	0.065	4	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H){1|Fe<5>,2|Si<4>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Ge<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,1|N<3>,2|C<3>}	119.8160	0.000	1	120.0733	0.055	3	120.1568	0.065	4	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H){2|Si<4>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Ge<3>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	120.2020	0.105	2	120.0733	0.055	3	120.1568	0.065	4	120.2440	1.123	42	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:N-2:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NH)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NH){1|N<2>,2|H<1>,4|C<3>}	123.6500	0.000	1	123.6500	0.000	1	123.6500	0.000	1	123.6500	0.000	1	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6]C[6a]C[6])	C[6a](C[6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6]C[6a]C[6]){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	121.4365	0.281	2	121.4365	0.079	2	121.4365	0.079	2	121.1390	0.305	3	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)2	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,5|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)2{4|H<1>,7|C<3>}	120.5440	0.000	1	120.5440	0.000	1	120.5440	0.000	1	121.1390	0.305	3	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:N[6a]-2:O[6]-2:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	N[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	118.1290	0.000	1	118.1290	0.000	1	118.1290	0.000	1	118.1290	0.000	1	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]HO)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]HO){1|O<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	121.3610	0.000	1	121.3610	0.000	1	121.8903	0.215	3	121.8903	0.215	3	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	122.2260	0.000	1	122.2260	0.000	1	121.8903	0.215	3	121.8903	0.215	3	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|C<3>,2|O<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	122.0840	0.000	1	122.0840	0.000	1	121.8903	0.215	3	121.8903	0.215	3	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:2:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	121.7798	0.430	4	121.7798	0.184	4	121.6782	0.094	10	121.6782	0.094	10	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:2:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	121.4250	0.000	1	121.4250	0.000	1	121.6782	0.094	10	121.6782	0.094	10	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:2:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	121.4030	0.000	1	121.4030	0.000	1	121.6782	0.094	10	121.6782	0.094	10	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:2:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	121.7087	0.189	4	121.7087	0.036	4	121.6782	0.094	10	121.6782	0.094	10	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6]-3:N[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6,6a](C[5a,6]N[5a,6]C[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	121.9090	0.000	1	121.9090	0.000	1	121.9090	0.000	1	122.2283	0.206	7	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6,6a]N[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	122.2815	0.472	6	122.2815	0.223	6	122.2815	0.223	6	122.2283	0.206	7	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6]-3:N[6,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	122.1090	0.000	1	122.1090	0.000	1	122.1090	0.000	1	122.4561	1.187	7	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6]-3:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){2|C<3>,2|C<4>,2|H<1>}	122.3830	0.000	1	122.3830	0.000	1	122.3830	0.000	1	122.4561	1.187	7	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:N[6,6a]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]C)(H)	N[6,6a](C[6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6]){1|C<4>,4|H<1>,5|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	121.1820	0.082	2	121.1820	0.007	2	121.1820	0.007	2	122.4561	1.187	7	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(O){1|C<4>,2|C<3>,3|H<1>}	123.9050	0.000	1	123.9050	0.000	1	123.9050	0.000	1	122.4561	1.187	7	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|O<1>,3|C<3>,4|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|N<3>,2|H<1>,3|C<3>}	122.7210	0.000	1	123.2160	0.490	2	123.2160	0.490	2	122.4561	1.187	7	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.7110	0.000	1	123.2160	0.490	2	123.2160	0.490	2	122.4561	1.187	7	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:N[6a]-2:O-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(C[6]C[6]HH)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5460	0.000	1	121.5460	0.000	1	121.5460	0.000	1	121.5460	0.000	1	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	122.9100	0.156	2	122.9100	0.024	2	122.9100	0.024	2	122.9100	0.024	2	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:N[6a]-2:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]N[5]N[6]H)(N[6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6]N[5]N[6]H)(N[6a]C[6a,6a]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	122.1900	0.000	1	122.1900	0.000	1	122.1900	0.000	1	121.8312	0.219	4	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:3:4:	3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:N[6a]-2:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O){1|N<2>,2|H<1>,3|C<4>}	121.7117	0.493	3	121.7117	0.243	3	121.7117	0.243	3	121.8312	0.219	4	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:4:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	121.3880	0.000	1	121.3880	0.000	1	121.3880	0.000	1	121.3880	0.000	1	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:4:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	122.4180	0.000	1	122.4180	0.000	1	122.4180	0.000	1	122.4180	0.000	1	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:4:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|C<3>,2|H<1>,3|C<4>}	122.1850	0.000	1	122.1850	0.000	1	122.2196	0.459	22	122.2196	0.459	22	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:4:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|C<3>,2|C<4>,3|H<1>}	122.1850	0.000	1	122.2213	0.482	21	122.2196	0.459	22	122.2196	0.459	22	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	3:4:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<4>,1|O<1>,7|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|C<3>,2|C<4>,3|H<1>}	122.2231	0.712	20	122.2213	0.482	21	122.2196	0.459	22	122.2196	0.459	22	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	4:3:3:	3:3:2:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[5,6])(O)	N[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O){1|O<2>,9|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[5,6])(O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	119.6055	0.367	2	119.6055	0.135	2	119.6055	0.135	2	119.6055	0.135	2	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6a]-3:N[6a]-3:O-1:	N[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]N[6a]O)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[5,6]H)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O)	N[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]N[6a]O){1|C<3>,3|H<1>,4|C<4>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[5,6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	122.4620	0.000	1	122.4620	0.000	1	122.4620	0.000	1	122.4620	0.000	1	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	C[6,6a](N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]Br)(C[6]O[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6,6])(O)	N[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|Br<1>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]Br)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6,6])(O){2|H<1>,3|C<3>,3|C<4>}	123.1790	0.000	1	123.1790	0.000	1	123.1790	0.000	1	123.1790	0.000	1	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	4:3:3:	3:4:3:	3:2:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[5,6]-4:C[6a]-3:	N[6,6a]-3:N[6a]-2:O-1:	N[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]N[6a]O)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[5]N)(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a])(O)	N[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[5]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.7340	0.000	1	119.7340	0.000	1	119.7340	0.000	1	119.7340	0.000	1	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	4:3:3:	3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:N[6a]-3:O-1:	N[6,6a](C[5,6]C[5,5]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	N[6,6a](C[5,6]C[5,5]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	121.6690	0.000	1	121.6690	0.000	1	121.9258	0.055	5	121.9258	0.055	5	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	4:3:3:	3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:N[6a]-3:O-1:	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,3|C<4>,5|H<1>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	121.9497	0.242	3	121.9497	0.058	3	121.9258	0.055	5	121.9258	0.055	5	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	4:3:3:	3:4:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:N[6a]-3:O-1:	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	122.1110	0.000	1	122.1110	0.000	1	121.9258	0.055	5	121.9258	0.055	5	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6,6a]	C[6a]	4:3:3:	4:3:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:N[6,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]O)	C[6,6a](C[5,6]C[5,6,6]C[5]Si)(N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6,6])(O)	N[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]O){1|Si<4>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6,6]C[5]Si)(N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6,6])(O){2|H<1>,3|C<3>,3|C<4>}	122.5390	0.000	1	122.5390	0.000	1	122.5390	0.000	1	122.5390	0.000	1	121.2706	1.587	129	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6a,6a]	C[6,6a]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a,6a]C[6])(N[6a]N[6a])(C[6]C[6]H)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6a,6a]C[6])(N[6a]N[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	118.3660	0.000	1	118.3660	0.000	1	118.3660	0.000	1	118.3660	0.000	1	118.9015	0.574	2	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6a,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6,6a]-3:N[6]-2:	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6]C[6,6a])	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]N){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]){1|H<1>,1|N<3>,6|C<3>}	119.4370	0.000	1	119.4370	0.000	1	119.4370	0.000	1	119.4370	0.000	1	118.9015	0.574	2	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6,6a]	3:3:2:	3:3:1:	3:2:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(N[6]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]N[6])(O)	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(N[6]C[6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]N[6])(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH){1|O<1>,3|C<3>}	122.7640	0.000	1	122.7640	0.000	1	122.7640	0.000	1	122.7640	0.000	1	120.8177	3.860	7	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6,6a]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a]-3:N[6a]-2:S[6]-2:	N[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6])	N[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|S<2>,2|C<4>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6]){1|O<1>,2|C<3>,4|C<4>}	118.1820	0.000	1	118.1820	0.000	1	118.1820	0.000	1	118.1820	0.000	1	120.8177	3.860	7	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6,6a]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|O<1>,5|C<3>}	118.6370	0.000	1	118.6370	0.000	1	118.6370	0.000	1	118.6370	0.000	1	120.8177	3.860	7	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6,6a]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:O-2:	N[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OCd)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OCd){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	121.4220	0.000	1	121.4220	0.000	1	121.4220	0.000	1	121.4220	0.000	1	120.8177	3.860	7	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){4|H<1>,5|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	120.6125	0.240	2	120.6125	0.057	2	120.6125	0.057	2	120.6125	0.057	2	120.8177	3.860	7	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6,6a]	C[6a]	C[6,6a]	3:3:4:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(N[6]C[6]C)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	120.8177	3.860	7	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6,6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	C[6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){1|H<1>,1|N<2>,2|C<4>,2|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	120.6440	0.000	1	120.6440	0.000	1	120.6440	0.000	1	120.6440	0.000	1	120.6440	0.000	1	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[3x6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[3x6a](N[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2){1|H<1>,1|O<2>,8|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[3x6a](N[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)2{2|H<1>,2|O<1>,5|C<3>}	117.3503	0.703	4	117.3503	0.495	4	117.9723	1.272	7	117.9723	1.272	7	117.9723	1.272	7	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[3x6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[3x6a](N[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2){1|H<1>,1|O<2>,8|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	C[3x6a](N[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)2{2|H<1>,2|O<1>,5|C<3>}	118.8017	1.126	3	118.8017	1.268	3	117.9723	1.272	7	117.9723	1.272	7	117.9723	1.272	7	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){2|Cl<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|Cl<1>,1|N<2>,1|O<1>,2|C<3>}	120.5010	0.472	2	120.5010	0.223	2	120.5010	0.223	2	120.5010	0.223	2	119.5420	2.691	10	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,7|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|O<1>,6|C<3>}	116.6525	0.084	2	116.6525	0.007	2	116.6525	0.007	2	116.6525	0.007	2	119.5420	2.691	10	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	B[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[6a,6a](B[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a,6a]2)2	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])2	N[6a,6a](B[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a,6a]2)2{10|C<3>}	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,8|C<3>}	C[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,8|C<3>}	120.8965	0.825	2	120.8965	0.681	2	120.8965	0.681	2	120.1855	0.594	6	119.5420	2.691	10	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	120.5830	0.000	1	120.5830	0.000	1	120.5830	0.000	1	120.1855	0.594	6	119.5420	2.691	10	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,3|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	119.6030	0.000	1	119.6030	0.000	1	119.6030	0.000	1	120.1855	0.594	6	119.5420	2.691	10	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	119.5670	0.119	2	119.5670	0.014	2	119.5670	0.014	2	120.1855	0.594	6	119.5420	2.691	10	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C){1|H<1>,2|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){2|C<4>,3|N<2>}	120.1520	0.000	1	120.0365	0.027	2	120.2078	0.048	4	120.2078	0.048	4	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C){1|H<1>,2|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,3|N<2>}	119.9210	0.000	1	120.0365	0.027	2	120.2078	0.048	4	120.2078	0.048	4	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N){1|H<1>,2|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<4>,1|N<3>,3|N<2>}	120.3790	0.000	2	120.3790	0.000	2	120.2078	0.048	4	120.2078	0.048	4	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:2:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	120.9620	0.000	1	120.9620	0.000	1	120.9620	0.000	1	120.9620	0.000	1	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a]-3:N[6a]-2:S-2:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>,2|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SC){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	119.0560	0.000	1	119.0560	0.000	1	119.0560	0.000	1	119.0560	0.000	1	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])	C[6a](N[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	119.0840	0.000	1	119.0840	0.000	1	119.0840	0.000	1	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O){2|Cl<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|Cl<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O){1|Cl<1>,2|C<3>,2|N<2>}	118.8070	0.373	2	118.8070	0.139	2	118.8070	0.139	2	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	120.9200	0.000	1	120.9200	0.000	1	120.9200	0.000	1	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a,6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(H)	N[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(H){1|N<2>,1|O<1>,3|C<3>}	122.3130	0.000	1	122.3130	0.000	1	122.3130	0.000	1	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	118.9460	0.178	2	118.9678	0.062	5	119.2585	0.179	10	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	118.9823	0.328	3	118.9678	0.062	5	119.2585	0.179	10	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	120.1360	0.000	1	120.1360	0.000	1	119.2585	0.179	10	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2{5|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	119.4025	0.168	4	119.4025	0.028	4	119.2585	0.179	10	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)2{5|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,2|O<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	121.5580	0.340	4	121.5580	0.115	4	121.5580	0.115	4	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	N[6a,6a]-3:N[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O){1|N<2>,1|O<1>,3|C<3>}	121.2900	0.000	1	121.2900	0.000	1	121.2900	0.000	1	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	121.5200	0.000	1	121.3993	0.015	3	121.8906	0.230	7	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	121.2790	0.000	1	121.3993	0.015	3	121.8906	0.230	7	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	121.3990	0.000	1	121.3993	0.015	3	121.8906	0.230	7	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	122.2590	0.167	4	122.2590	0.028	4	121.8906	0.230	7	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	118.6470	0.000	1	118.6470	0.000	1	120.3939	1.158	13	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,3|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.1570	0.000	1	119.1570	0.000	1	120.3939	1.158	13	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.6190	0.000	1	121.5922	0.771	4	120.3939	1.158	13	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.0800	0.000	1	121.5922	0.771	4	120.3939	1.158	13	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	122.3350	0.000	2	121.5922	0.771	4	120.3939	1.158	13	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.7150	0.000	1	120.7150	0.000	1	120.3939	1.158	13	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.0994	0.269	5	120.0994	0.072	5	120.3939	1.158	13	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>,2|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	119.7360	0.000	1	119.7360	0.000	1	120.3939	1.158	13	120.4598	1.608	40	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|H<1>,1|O<1>,6|C<3>}	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	120.8165	0.373	2	120.8165	0.139	2	120.8165	0.139	2	120.8165	0.139	2	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a]-3:C[6a]-3:C-4:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,3|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	119.7000	0.000	1	119.7000	0.000	1	119.7000	0.000	1	119.7000	0.000	1	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](N[6a,6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.2370	0.051	2	118.2370	0.003	2	118.2370	0.003	2	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.2280	0.000	1	118.2280	0.000	1	118.2280	0.000	1	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	120.4720	0.000	1	120.4720	0.000	1	120.4720	0.000	1	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<2>,3|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(O){5|C<3>}	119.1540	0.000	1	119.1540	0.000	1	119.6173	0.161	3	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]Cl)(O){1|O<2>,4|C<3>}	119.8490	0.011	2	119.8490	0.000	2	119.6173	0.161	3	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(H)	N[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	122.3450	0.000	1	122.3450	0.000	1	121.3590	1.944	2	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.3730	0.000	1	120.3730	0.000	1	121.3590	1.944	2	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	120.7180	0.000	1	120.7180	0.000	1	120.7180	0.000	1	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(O)	N[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(O){1|H<1>,4|C<3>}	123.6060	0.000	1	123.6060	0.000	1	123.6060	0.000	1	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[5a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6a,6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|S<2>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6a,6a]C[6a]2){1|H<1>,1|O<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a,6a]C[6a,6a]C[6a])(O){6|C<3>}	122.1440	0.000	1	122.1440	0.000	1	122.1440	0.000	1	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2){1|H<1>,1|O<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	120.4710	0.358	2	120.4080	0.076	3	120.4080	0.076	3	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2){1|H<1>,1|O<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|F<1>,6|C<3>}	120.2820	0.000	1	120.4080	0.076	3	120.4080	0.076	3	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.0080	0.000	1	120.0080	0.000	1	120.2940	2.038	3	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H){1|O<1>,4|C<3>}	121.8430	0.000	1	121.8430	0.000	1	120.2940	2.038	3	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	119.0310	0.000	1	119.0310	0.000	1	120.2940	2.038	3	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|H<1>,4|C<3>}	121.4530	0.000	1	121.4530	0.000	1	122.3307	3.246	3	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|H<1>,4|C<3>}	121.1360	0.000	1	121.1360	0.000	1	122.3307	3.246	3	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	124.4030	0.000	1	124.4030	0.000	1	122.3307	3.246	3	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a,6a]C)(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a,6a]C)(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){2|H<1>,5|C<3>}	122.8060	0.000	1	122.8060	0.000	1	122.8060	0.000	1	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a,6a]C)(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a,6a]C)(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	120.6210	0.000	1	120.6210	0.000	1	120.6210	0.000	1	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|I<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.9800	0.000	1	119.9800	0.000	1	120.5794	0.533	7	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,3|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.5230	0.000	1	119.5230	0.000	1	120.5794	0.533	7	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,3|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	120.7750	0.000	1	120.6748	0.021	4	120.5794	0.533	7	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,3|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	120.4810	0.000	1	120.6748	0.021	4	120.5794	0.533	7	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	120.7215	0.098	2	120.6748	0.021	4	120.5794	0.533	7	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.8540	0.000	1	121.8540	0.000	1	120.5794	0.533	7	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,3|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	122.6990	0.000	1	122.8390	0.042	4	123.0110	0.212	8	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,3|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	122.6520	0.000	1	122.8390	0.042	4	123.0110	0.212	8	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	123.0025	0.138	2	122.8390	0.042	4	123.0110	0.212	8	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){2|H<1>,5|C<3>}	123.4807	0.166	3	123.4807	0.028	3	123.0110	0.212	8	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	122.2900	0.000	1	122.2900	0.000	1	123.0110	0.212	8	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	121.7430	0.000	1	121.7430	0.000	1	121.7430	0.000	1	121.1698	2.615	39	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6a,6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|S<2>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6a,6a]C[6a]2){1|H<1>,1|O<1>,8|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	120.6120	0.000	1	120.6120	0.000	1	120.1210	0.140	4	120.1517	0.353	7	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2){1|H<1>,1|O<1>,8|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	119.9765	0.309	2	119.9765	0.095	2	120.1210	0.140	4	120.1517	0.353	7	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2){1|H<1>,1|O<1>,8|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	119.9190	0.000	1	119.9190	0.000	1	120.1210	0.140	4	120.1517	0.353	7	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	121.1730	0.000	1	121.1730	0.000	1	120.2605	1.665	2	120.1517	0.353	7	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	119.3480	0.000	1	119.3480	0.000	1	120.2605	1.665	2	120.1517	0.353	7	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]2){3|H<1>,6|C<3>}	120.0570	0.000	1	120.0570	0.000	1	120.0570	0.000	1	120.1517	0.353	7	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:4:3:	3:3:3:	3:3:1:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]C)	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.8450	0.000	1	119.8450	0.000	1	118.9027	1.066	3	118.9027	1.066	3	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:4:3:	3:3:3:	3:3:1:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H){3|C<3>,3|C<4>}	118.4315	0.894	2	118.4315	0.800	2	118.9027	1.066	3	118.9027	1.066	3	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	3:4:3:	3:3:3:	3:3:4:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C-4:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(CH3)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]CC)(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	117.6680	0.000	1	117.6680	0.000	1	117.6680	0.000	1	117.6680	0.000	1	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a,6a]	C[6a]	4:3:3:	3:3:3:	3:3:1:	B[6,6,6a]-4:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](B[6,6,6a]C[6,6]2C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]B[6,6,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a,6a]B[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6,6,6a]C[6,6]2C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){4|C<3>,4|C<4>,4|H<1>}	C[6a,6a](N[6a,6a]B[6,6,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](N[6a,6a]B[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.4250	0.000	1	119.4250	0.000	1	119.4250	0.000	1	119.4250	0.000	1	120.6106	2.062	100	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:C-3:	N[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C){1|H<1>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	116.8910	0.000	1	116.8910	0.000	1	116.8910	0.000	1	116.7230	0.021	3	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:N-3:	N[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]N){1|H<1>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>,2|N<2>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	116.6390	0.000	2	116.6390	0.000	2	116.6390	0.000	2	116.7230	0.021	3	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:2:4:	3:2:2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:C-4:	N[6a,6a]-3:N[6a]-2:N[6a]-2:	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]C){1|H<1>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	117.1840	0.000	1	117.1840	0.000	1	117.1840	0.000	1	117.1840	0.000	1	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:2:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,5|C<3>}	119.2040	0.687	2	119.1427	0.247	3	119.6685	1.271	4	119.6685	1.271	4	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:2:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,5|C<3>}	119.0200	0.000	1	119.1427	0.247	3	119.6685	1.271	4	119.6685	1.271	4	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:2:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.2460	0.000	1	121.2460	0.000	1	119.6685	1.271	4	119.6685	1.271	4	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	121.1620	0.000	2	121.1620	0.000	2	121.1620	0.000	2	121.1692	0.707	5	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:O[6a]-2:	N[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(O[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(O[6a]C[6a]){2|C<3>,2|H<1>,2|O<1>}	119.8180	0.000	1	119.8180	0.000	1	119.8180	0.000	1	121.1692	0.707	5	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:O[6a]-2:	N[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(O[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(O[6a]C[6a]){2|C<3>,2|H<1>,2|O<1>}	122.0390	0.000	1	122.0390	0.000	1	122.0390	0.000	1	121.1692	0.707	5	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]N[6a])(O)	C[6a,6a](N[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a,6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]N[6a])(O){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](N[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	121.6650	0.000	1	121.6650	0.000	1	121.6650	0.000	1	121.1692	0.707	5	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](N[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	117.8420	0.000	1	117.8420	0.000	1	117.8420	0.000	1	120.3158	2.083	12	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a](N[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[6a,6a](N[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]H)	N[6a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[6a](N[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[6a,6a](N[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]H){1|S<2>,2|O<1>,3|C<3>}	122.1680	0.000	1	122.1680	0.000	1	122.1680	0.000	1	120.3158	2.083	12	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a]2)(B[6a]C[6a]H)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]F)(H)	C[6a,6a](N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a]2)(B[6a]C[6a]H)(C[6a]C[6a]H){1|F<1>,2|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	C[6a,6a](N[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)2{2|C<3>,4|H<1>}	119.0510	0.160	2	119.0510	0.026	2	119.0510	0.026	2	120.3158	2.083	12	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,3|H<1>}	120.8230	0.000	1	120.0376	0.290	5	120.0376	0.290	5	120.3158	2.083	12	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	120.2420	0.000	1	120.0376	0.290	5	120.0376	0.290	5	120.3158	2.083	12	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,3|H<1>}	119.7077	0.297	3	120.0376	0.290	5	120.0376	0.290	5	120.3158	2.083	12	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){2|C<3>,2|H<1>,2|O<1>}	120.8290	0.000	1	120.8290	0.000	1	120.8290	0.000	1	120.3158	2.083	12	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(O){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,3|H<1>}	122.6560	0.000	1	122.6560	0.000	1	122.6560	0.000	1	120.3158	2.083	12	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){2|C<3>,2|H<1>,2|O<1>}	122.0050	0.000	1	122.0050	0.000	1	122.0050	0.000	1	120.3158	2.083	12	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,5|C<3>}	120.1765	0.250	2	120.1765	0.062	2	120.2187	0.036	3	120.2187	0.036	3	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:N[6a]-2:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|N<2>,1|O<1>,2|H<1>,7|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,5|C<3>}	120.3030	0.000	1	120.3030	0.000	1	120.2187	0.036	3	120.2187	0.036	3	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|O<1>,6|C<3>}	120.8400	0.112	2	120.8400	0.012	2	120.9870	0.075	5	120.8877	0.119	6	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:N[6a]-2:	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){7|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|O<1>,6|C<3>}	121.0850	0.329	3	121.0850	0.108	3	120.9870	0.075	5	120.8877	0.119	6	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	120.3910	0.000	1	120.3910	0.000	1	120.3910	0.000	1	120.8877	0.119	6	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,7|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	120.4610	0.000	1	120.4610	0.000	1	120.4610	0.000	1	119.9903	0.276	3	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|I<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|O<1>,3|H<1>,5|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|O<1>,2|H<1>,3|C<3>}	120.0870	0.000	1	120.0870	0.000	1	119.7550	0.220	2	119.9903	0.276	3	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,3|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|O<1>,3|H<1>,5|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	119.4230	0.000	1	119.4230	0.000	1	119.7550	0.220	2	119.9903	0.276	3	120.0437	2.340	37	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6a](N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0490	0.000	1	119.0490	0.000	1	119.0490	0.000	1	119.0490	0.000	1	119.0490	0.000	1	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	123.3250	0.075	2	123.3250	0.006	2	122.9705	0.225	4	122.9705	0.225	4	121.8145	2.197	8	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	122.6160	0.410	2	122.6160	0.168	2	122.9705	0.225	4	122.9705	0.225	4	121.8145	2.197	8	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:4:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.2130	0.000	1	120.2130	0.000	1	120.1623	0.529	3	120.1623	0.529	3	121.8145	2.197	8	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:4:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.1370	1.027	2	120.1370	1.054	2	120.1623	0.529	3	120.1623	0.529	3	121.8145	2.197	8	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:C-4:	C[5a,6,6a]-3:N[6a]-3:C[6]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a,6a]C)(C[6]C[6]C)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6,6a]C)(C[6a]C[6a]H)	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a,6a]C)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.1470	0.000	1	122.1470	0.000	1	122.1470	0.000	1	122.1470	0.000	1	121.8145	2.197	8	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:1:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:H-1:	N[6,6a,6a]-3:N[6a]-3:N[6]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)(H)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6])	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a,6a])(O)	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)(H){3|C<3>}	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6]){1|O<1>,1|O<2>,4|N<2>}	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a,6a])(O){1|N<3>,2|N<2>}	123.5333	0.461	3	123.5333	0.213	3	123.5333	0.213	3	123.5333	0.213	3	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]H)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(H){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O){3|C<3>}	124.6805	0.313	4	124.6805	0.098	4	124.6805	0.098	4	124.1516	0.991	13	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]H){2|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]H)(O){1|H<1>,4|C<3>}	124.4410	0.000	1	124.4410	0.000	1	124.4410	0.000	1	124.1516	0.991	13	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]H)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>}	124.5050	0.000	2	124.5050	0.000	2	124.5050	0.000	2	124.1516	0.991	13	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[5a,6]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[5a,6]H)(N[6a]C[6a]H){1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	122.8000	0.000	1	122.8000	0.000	1	123.1084	0.068	5	124.1516	0.991	13	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]H)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	123.1855	0.226	4	123.1855	0.051	4	123.1084	0.068	5	124.1516	0.991	13	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:N[6]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(N[6]C[6]Ru)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|Ru<5>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(N[6]C[6]Ru){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>}	126.2560	0.000	1	126.2560	0.000	1	126.2560	0.000	1	124.1516	0.991	13	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:N[6a]-3:C[6]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]H)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3)	N[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	123.2280	0.000	1	123.2280	0.000	1	123.2280	0.000	1	123.2280	0.000	1	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]CH)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	125.7190	0.000	1	125.7190	0.000	1	125.6615	0.007	2	125.6615	0.007	2	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]HH)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]C)(O){1|Cl<1>,1|C<3>,1|C<4>}	125.6040	0.000	1	125.6040	0.000	1	125.6615	0.007	2	125.6615	0.007	2	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:1:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]H)	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	124.9191	0.248	8	124.9191	0.061	8	124.9191	0.061	8	124.9191	0.061	8	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:2:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OC)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]O)(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]O)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|O<1>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]O)(O){1|C<4>,1|H<1>,3|C<3>}	127.0290	0.000	1	127.0290	0.000	1	127.0290	0.000	1	127.0290	0.000	1	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]C[6a])(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	124.1040	0.000	1	124.1040	0.000	1	124.1040	0.000	1	124.1040	0.000	1	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	122.1700	0.000	1	122.1700	0.000	1	121.8013	0.323	10	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){2|O<1>,4|N<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	121.1470	0.000	1	121.1470	0.000	1	121.8013	0.323	10	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	121.9810	0.588	2	121.9810	0.346	2	121.8013	0.323	10	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|H<1>,1|N<3>,3|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	122.8570	0.000	1	121.7340	0.612	4	121.8013	0.323	10	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|H<1>,1|S<2>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	121.6690	0.000	1	121.7340	0.612	4	121.8013	0.323	10	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	121.2800	0.000	1	121.7340	0.612	4	121.8013	0.323	10	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	121.1300	0.000	1	121.7340	0.612	4	121.8013	0.323	10	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6]){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	121.7270	0.000	1	121.7270	0.000	1	121.8013	0.323	10	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6]){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	122.0710	0.000	1	122.0710	0.000	1	121.8013	0.323	10	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]C)(O[6]C[6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|N<3>,2|O<1>,4|C<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	120.2090	0.000	1	120.2090	0.000	1	120.9845	0.191	20	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	121.1510	0.000	1	121.3194	0.031	5	120.9845	0.191	20	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|H<1>,1|N<3>,2|O<1>,4|C<4>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	121.3615	0.172	4	121.3194	0.031	5	120.9845	0.191	20	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	121.1890	0.000	1	121.0913	0.022	6	120.9845	0.191	20	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	121.0718	0.156	5	121.0913	0.022	6	120.9845	0.191	20	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	120.7460	0.000	1	120.8555	0.491	4	120.9845	0.191	20	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	120.8920	0.854	3	120.8555	0.491	4	120.9845	0.191	20	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	121.0175	0.086	2	120.7285	0.118	4	120.9845	0.191	20	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	120.3580	0.000	1	120.7285	0.118	4	120.9845	0.191	20	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	120.5210	0.000	1	120.7285	0.118	4	120.9845	0.191	20	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C[6])(O[6]B[6])	C[6a](N[6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(C[6]C[6]2H){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C[6])(O[6]B[6]){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|F<1>,2|O<1>}	C[6a](N[6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	121.4080	0.000	1	121.4080	0.000	1	121.4080	0.000	1	121.2616	0.367	31	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	121.0790	0.000	1	121.0790	0.000	1	121.0790	0.000	1	121.9802	0.405	6	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:C[6]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H){1|S<1>,2|O<1>,3|N<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	122.4970	0.000	2	122.4970	0.000	2	122.5327	0.004	3	121.9802	0.405	6	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:C[6]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	122.6040	0.000	1	122.6040	0.000	1	122.5327	0.004	3	121.9802	0.405	6	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:N[6]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]H)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	121.5720	0.000	1	121.5720	0.000	1	121.5720	0.000	1	121.9802	0.405	6	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[5,6]-3:C[6,6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]N[6a]O)(CH3)	C[6,6a](N[5,6]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(N[6a]C[6a]C)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]N[6a]O)(CH3){2|C<3>,3|C<4>}	C[6,6a](N[5,6]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(N[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	121.6320	0.000	1	121.6320	0.000	1	121.6320	0.000	1	121.9802	0.405	6	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6,6a]C)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6,6a]C)(O){1|C<4>,1|S<2>,3|C<3>}	123.7370	0.000	1	123.7370	0.000	1	123.7370	0.000	1	122.8374	0.612	5	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:C[6]-4:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]Br)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]Br)(O){1|C<4>,2|C<3>}	122.4500	0.000	1	122.4500	0.000	1	122.6125	0.478	4	122.8374	0.612	5	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:C[6]-4:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]H)(O){1|C<3>,2|C<4>}	123.6270	0.000	1	123.6270	0.000	1	122.6125	0.478	4	122.8374	0.612	5	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6,6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:C[6]-4:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	C[6a](N[6a]C[6,6a]C)(C[6a]N[6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|N<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](N[6a]C[6,6a]C)(C[6a]N[6a]H)(O){1|C<3>,1|C<4>}	122.1865	0.129	2	122.1865	0.017	2	122.6125	0.478	4	122.8374	0.612	5	122.7435	2.897	71	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[3x6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[3x6a]N[6a])(H){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,4|C<3>}	122.5835	0.315	2	122.5835	0.099	2	122.5835	0.099	2	122.5835	0.099	2	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	124.0790	0.000	1	124.0790	0.000	1	123.3818	0.658	6	123.3818	0.658	6	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|O<1>,1|S<2>,4|C<3>}	124.5870	0.000	1	124.5870	0.000	1	123.3818	0.658	6	123.3818	0.658	6	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	122.3830	0.000	1	122.3830	0.000	1	123.3818	0.658	6	123.3818	0.658	6	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,3|C<3>}	123.1420	0.245	2	123.0807	0.041	3	123.3818	0.658	6	123.3818	0.658	6	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|N<3>,4|C<3>}	122.9580	0.000	1	123.0807	0.041	3	123.3818	0.658	6	123.3818	0.658	6	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.0185	2.184	2	121.0185	4.771	2	121.0185	4.771	2	124.9609	10.251	20	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]H){1|H<1>,1|O<1>,4|C<3>}	122.1780	0.000	1	122.1780	0.000	1	122.1780	0.000	1	124.9609	10.251	20	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|As<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	127.7530	0.909	2	128.6033	0.442	8	125.5884	9.030	17	124.9609	10.251	20	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|As<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	128.8867	0.261	6	128.6033	0.442	8	125.5884	9.030	17	124.9609	10.251	20	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6,6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6,6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	122.3520	0.000	1	122.5390	0.070	2	125.5884	9.030	17	124.9609	10.251	20	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6,6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6,6a]H){1|H<1>,1|S<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	122.7260	0.000	1	122.5390	0.070	2	125.5884	9.030	17	124.9609	10.251	20	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	123.6870	0.000	1	123.6870	0.000	1	125.5884	9.030	17	124.9609	10.251	20	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	122.5950	0.016	2	122.5950	0.000	2	125.5884	9.030	17	124.9609	10.251	20	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|C<4>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]C){1|O<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	123.1990	0.000	1	123.1990	0.000	1	125.5884	9.030	17	124.9609	10.251	20	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	122.7700	1.561	2	122.7700	2.438	2	125.5884	9.030	17	124.9609	10.251	20	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(H){1|S<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	123.4820	0.000	1	123.4820	0.000	1	125.5884	9.030	17	124.9609	10.251	20	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	122.7505	0.484	2	122.7505	0.235	2	122.7505	0.235	2	122.7505	0.235	2	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(N[6a]C[6a]){1|N<3>,2|O<1>,4|C<3>}	121.5330	0.000	1	121.5330	0.000	1	121.5330	0.000	1	121.6070	0.235	3	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]N[6a]2)(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	122.1240	0.000	1	122.1240	0.000	1	122.1240	0.000	1	121.6070	0.235	3	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a,6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<1>,7|C<3>}	121.1640	0.000	1	121.1640	0.000	1	121.1640	0.000	1	121.6070	0.235	3	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(COO){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.1480	0.000	1	121.1480	0.000	1	121.1480	0.000	1	123.0047	1.019	15	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]B[3x6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]B[3x6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]B[3x6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]B[3x6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	124.6740	0.000	1	124.6740	0.000	1	124.6740	0.000	1	123.0047	1.019	15	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	124.0915	0.223	2	124.0915	0.050	2	123.3690	1.591	3	123.0047	1.019	15	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	121.9240	0.000	1	121.9240	0.000	1	123.3690	1.591	3	123.0047	1.019	15	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	122.4670	0.000	1	122.4670	0.000	1	122.4670	0.000	1	123.0047	1.019	15	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	123.3820	0.000	1	123.3820	0.000	1	123.1927	0.367	7	123.0047	1.019	15	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	123.2850	0.438	2	123.2850	0.192	2	123.1927	0.367	7	123.0047	1.019	15	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	123.4780	0.318	3	123.4780	0.101	3	123.1927	0.367	7	123.0047	1.019	15	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.9630	0.000	1	121.9630	0.000	1	123.1927	0.367	7	123.0047	1.019	15	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[3x6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[6a,6a](N[6a]C[6a,6a]C[6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	122.1625	0.537	2	122.1625	0.288	2	122.1625	0.288	2	123.0047	1.019	15	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	120.6310	0.646	5	120.6415	0.335	6	120.6849	0.292	7	120.6849	0.292	7	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	120.6940	0.000	1	120.6415	0.335	6	120.6849	0.292	7	120.6849	0.292	7	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	120.9450	0.000	1	120.9450	0.000	1	120.6849	0.292	7	120.6849	0.292	7	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[3x6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[3x6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,5|C<3>}	121.9530	0.000	1	121.9530	0.000	1	122.1470	0.075	2	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	122.3410	0.000	1	122.3410	0.000	1	122.1470	0.075	2	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[3x6a]-3:N[6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CH3)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6,6a,6a]C[6,6a,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CH3){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,5|C<3>}	121.5010	0.000	1	121.5010	0.000	1	121.5010	0.000	1	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.6890	0.000	1	119.7735	0.014	2	119.7735	0.014	2	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|O<1>,1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.8580	0.000	1	119.7735	0.014	2	119.7735	0.014	2	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a,6a]C){1|H<1>,1|N<3>,6|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	119.0290	0.000	1	119.0290	0.000	1	119.0290	0.000	1	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	122.7370	0.000	1	122.7370	0.000	1	122.6815	0.006	2	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CH3)	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	122.6260	0.000	1	122.6260	0.000	1	122.6815	0.006	2	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	120.5820	0.106	2	120.5820	0.011	2	120.5820	0.011	2	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|O<2>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	119.0900	0.000	1	119.0900	0.000	1	119.0900	0.000	1	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>}	120.8620	0.000	1	120.6193	0.052	9	121.0172	0.528	13	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	120.5890	0.225	8	120.6193	0.052	9	121.0172	0.528	13	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C){1|B<3>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.8480	0.000	1	122.8480	0.000	1	121.0172	0.528	13	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(N[6a]C[6a,6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(N[6a]C[6a,6a]C){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.6007	0.239	3	121.6007	0.057	3	121.0172	0.528	13	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]C){1|H<1>,1|N<3>,4|C<3>}	119.0895	0.025	2	119.0895	0.001	2	120.4328	0.798	10	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	120.9123	0.502	7	120.9123	0.252	7	120.4328	0.798	10	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]N)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]N){1|H<1>,1|N<3>,4|C<3>}	119.7630	0.000	1	119.7630	0.000	1	120.4328	0.798	10	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,4|C<3>}	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	120.3215	0.161	2	120.7164	0.101	11	120.9800	1.157	34	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	120.6050	0.000	1	120.7164	0.101	11	120.9800	1.157	34	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	120.8290	0.282	8	120.7164	0.101	11	120.9800	1.157	34	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	118.2180	0.000	1	119.0463	1.451	3	120.9800	1.157	34	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	120.4280	0.000	1	119.0463	1.451	3	120.9800	1.157	34	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,3|C<3>}	118.4930	0.000	1	119.0463	1.451	3	120.9800	1.157	34	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	120.0130	0.000	1	120.0130	0.000	1	120.9800	1.157	34	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	123.0425	0.252	2	122.8400	0.052	5	120.9800	1.157	34	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.7050	0.059	3	122.8400	0.052	5	120.9800	1.157	34	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	121.4730	0.000	1	121.4730	0.000	1	120.9800	1.157	34	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.2397	0.169	7	121.2397	0.029	7	120.9800	1.157	34	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[5,6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[5,6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.1230	0.000	1	121.1230	0.000	1	120.9800	1.157	34	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	120.7780	0.054	2	120.7780	0.003	2	120.9800	1.157	34	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O){1|O<1>,2|O<2>,3|C<3>}	120.9815	0.063	2	120.9815	0.004	2	120.9800	1.157	34	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|S<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	119.2940	0.000	1	119.2940	0.000	1	120.9800	1.157	34	120.8984	1.085	69	121.9907	4.786	124	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	123.7400	0.000	1	123.7400	0.000	1	123.7400	0.000	1	123.7400	0.000	1	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)(H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6,6a])(H)	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)(H){3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|N<2>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6,6a])(H){1|C<3>,2|N<2>}	120.1930	0.000	1	120.1930	0.000	1	120.1930	0.000	1	121.9915	6.469	2	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:H-1:	N[3x6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(O)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)(H){3|C<3>}	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,4|N<2>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(O){1|N<3>,2|N<2>}	123.7900	0.000	1	123.7900	0.000	1	123.7900	0.000	1	121.9915	6.469	2	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	125.4870	0.000	1	125.4870	0.000	1	125.4870	0.000	1	123.9519	0.817	21	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|Br<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(O){1|C<3>,1|H<1>,1|N<2>}	125.2580	0.000	1	125.2580	0.000	1	124.8139	0.394	7	123.9519	0.817	21	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>}	125.1660	0.000	1	124.7398	0.427	6	124.8139	0.394	7	123.9519	0.817	21	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>}	124.6546	0.692	5	124.7398	0.427	6	124.8139	0.394	7	123.9519	0.817	21	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	124.1560	0.161	2	124.1560	0.026	2	123.3696	0.168	13	123.9519	0.817	21	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	123.1640	0.000	1	123.4120	0.123	2	123.3696	0.168	13	123.9519	0.817	21	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	123.6600	0.000	1	123.4120	0.123	2	123.3696	0.168	13	123.9519	0.817	21	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	123.1854	0.201	9	123.1854	0.041	9	123.3696	0.168	13	123.9519	0.817	21	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:O[6a]-2:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(O[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a,6a]H)(O[6a]C[6a])(O){1|O<1>,2|C<3>}	124.2720	0.209	2	124.2720	0.044	2	124.1118	0.114	4	124.1118	0.114	4	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:O[6a]-2:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(O[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a,6a]H)(O[6a]C[6a])(O){1|O<1>,2|C<3>}	123.9515	0.441	2	123.9515	0.194	2	124.1118	0.114	4	124.1118	0.114	4	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a,6a]-3:C[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]N[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]N[6a]2){5|C<3>}	121.7570	0.000	1	121.7570	0.000	1	121.7570	0.000	1	121.7570	0.000	1	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:2:4:	C[6a,6a]-3:C[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(CCHO){3|C<3>}	121.7065	0.184	4	121.7065	0.034	4	121.7065	0.034	4	121.7065	0.034	4	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a,6a]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	125.0770	0.000	1	125.0770	0.000	1	125.0770	0.000	1	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[5,6a]C)(O)	N[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[5,6a]C)(O){1|C<4>,2|C<3>}	123.3490	0.000	1	123.3490	0.000	1	123.3490	0.000	1	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	122.1340	0.000	1	122.1340	0.000	1	122.1340	0.000	1	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[3x6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a,6a]N[6a])(C[3x6a]C[6a,6a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a,6a]H)(H){3|C<3>}	121.4420	0.000	1	121.4420	0.000	1	121.4420	0.000	1	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|O<1>,2|C<3>}	121.7470	0.000	1	121.7470	0.000	1	122.4725	1.053	2	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[5,6a]C[6a])(N[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	123.1980	0.000	1	123.1980	0.000	1	122.4725	1.053	2	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	124.5630	0.000	1	124.5630	0.000	1	124.5630	0.000	1	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(H)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	124.6065	0.087	2	124.6065	0.008	2	124.6065	0.008	2	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(O){1|N<3>,4|C<3>}	125.6187	0.129	3	125.6187	0.017	3	125.6187	0.017	3	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:S-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]S)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(N[6a]C[6a,6a]H)(S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]S)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<2>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(N[6a]C[6a,6a]H)(S){1|N<2>,4|C<3>}	126.9470	0.000	1	126.9470	0.000	1	126.9470	0.000	1	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	125.6900	0.000	1	125.6900	0.000	1	125.6900	0.000	1	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	125.3290	0.000	1	125.3290	0.000	1	125.3290	0.000	1	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	125.0360	0.000	1	125.3714	0.103	5	125.3714	0.103	5	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){1|C<4>,2|H<1>,3|C<3>}	125.4670	0.000	1	125.3714	0.103	5	125.3714	0.103	5	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){2|H<1>,4|C<3>}	125.2410	0.066	2	125.3714	0.103	5	125.3714	0.103	5	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){1|H<1>,4|C<3>}	125.8720	0.000	1	125.3714	0.103	5	125.3714	0.103	5	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O){4|C<3>}	126.0740	0.362	2	126.0740	0.131	2	126.0740	0.131	2	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6,6a]C[6,6a]2)(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6,6a]C[6,6a]2)(N[6a]C[6a,6a]H)(O){1|N<2>,4|C<3>}	125.9453	0.065	3	125.9453	0.004	3	125.9453	0.004	3	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(O){1|N<2>,1|O<1>,3|C<3>}	125.4180	0.000	1	125.4180	0.000	1	125.4180	0.000	1	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	121.9390	0.016	2	121.9390	0.000	2	122.1638	0.875	11	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|O<1>,2|C<3>}	121.6340	0.000	1	122.6810	2.192	2	122.1638	0.875	11	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	123.7280	0.000	1	122.6810	2.192	2	122.1638	0.875	11	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	121.5285	0.069	2	121.5285	0.005	2	122.1638	0.875	11	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	121.0640	0.000	1	121.5293	0.226	3	122.1638	0.875	11	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	121.7620	0.356	2	121.5293	0.226	3	122.1638	0.875	11	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	123.2330	0.000	1	123.2330	0.000	1	122.1638	0.875	11	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	123.6840	0.000	1	123.6840	0.000	1	122.1638	0.875	11	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(N[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,2|C<3>}	124.3370	0.000	1	124.3370	0.000	1	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	124.6800	0.000	1	124.6800	0.000	1	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	126.2360	0.000	1	126.2360	0.000	1	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O){1|O<2>,4|C<3>}	125.1880	0.000	1	125.4650	0.151	5	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O){1|H<1>,4|C<3>}	125.8480	0.124	2	125.4650	0.151	5	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O){5|C<3>}	125.2205	0.315	2	125.4650	0.151	5	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	125.3830	0.000	1	125.2162	0.411	18	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){3|C<3>}	125.0940	0.000	1	125.2162	0.411	18	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	124.4600	0.000	1	125.2162	0.411	18	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|N<3>,2|C<3>}	124.2880	0.744	2	125.2162	0.411	18	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	126.0630	0.000	1	125.2162	0.411	18	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	125.4400	0.371	4	125.2162	0.411	18	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	125.6336	0.576	5	125.2162	0.411	18	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){3|C<3>}	124.7960	0.146	3	125.2162	0.411	18	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,2|C<3>}	124.1660	0.000	1	124.5379	0.731	27	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|C<4>,2|C<3>}	124.2570	0.303	2	124.5379	0.731	27	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|N<3>,2|C<3>}	123.4240	0.000	1	124.5379	0.731	27	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	124.9090	0.212	6	124.5379	0.731	27	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|O<2>,2|C<3>}	124.3880	0.000	1	124.5379	0.731	27	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|P<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	125.4020	0.000	1	124.5379	0.731	27	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|P<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	124.3350	0.660	2	124.5379	0.731	27	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	124.6190	0.300	5	124.5379	0.731	27	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	125.1030	0.000	1	124.5379	0.731	27	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(O){3|C<3>}	124.3294	1.528	7	124.5379	0.731	27	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O){3|C<3>}	125.1160	0.000	1	125.1160	0.000	1	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	123.9730	0.000	1	123.9730	0.000	1	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]O)(O){1|H<1>,2|C<3>}	124.0920	0.000	1	124.0920	0.000	1	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	124.4335	0.322	2	124.4335	0.104	2	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	123.9510	0.000	1	123.3530	0.137	9	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	123.0860	0.445	3	123.3530	0.137	9	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]C)(O){2|C<3>}	123.3936	0.175	5	123.3530	0.137	9	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]H)(O){2|C<3>}	122.3190	0.000	1	122.3190	0.000	1	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	124.2680	0.000	1	124.7300	0.128	11	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	124.9490	0.000	1	124.7300	0.128	11	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	124.7600	0.000	1	124.7300	0.128	11	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	124.7566	0.380	8	124.7300	0.128	11	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]P)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]N[6a]P)(O){2|C<3>}	123.3060	0.000	1	123.3060	0.000	1	124.6109	0.817	80	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	124.5180	0.000	1	124.5180	0.000	1	124.5272	0.556	9	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[3x6]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[3x6]C[6a])(N[6a]C[6a,6a]H)(O){1|O<1>,2|C<3>,3|C<4>}	125.8480	0.000	1	125.8480	0.000	1	124.5272	0.556	9	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O){1|O<1>,4|C<3>}	124.2390	0.000	1	124.2270	0.000	2	124.5272	0.556	9	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O){5|C<3>}	124.2150	0.000	1	124.2270	0.000	2	124.5272	0.556	9	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	124.8250	0.612	3	124.8250	0.375	3	124.5272	0.556	9	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	123.3950	0.000	1	123.7250	0.218	2	124.5272	0.556	9	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	124.0550	0.000	1	123.7250	0.218	2	124.5272	0.556	9	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H)	C[6a,6a](N[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[5a,6a]O)(H){5|C<3>}	C[6a,6a](N[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[6a]C[6a]H){1|S<2>,2|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]H)(O){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	128.7460	0.000	1	128.7460	0.000	1	128.7460	0.000	1	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(H)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){2|C<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(O){1|N<3>,1|O<1>,3|C<3>}	125.1230	0.000	1	125.1230	0.000	1	125.1230	0.000	1	124.4929	1.664	128	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]H)(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	121.7020	0.000	1	121.7020	0.000	1	121.7020	0.000	1	121.9390	0.112	2	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SC){1|O<1>,2|C<3>}	122.1760	0.000	1	122.1760	0.000	1	122.1760	0.000	1	121.9390	0.112	2	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]B[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|B<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]B[6a]C)(COO){1|O<2>,2|C<3>}	124.2940	0.000	1	124.2940	0.000	1	122.3203	1.896	4	122.6615	0.638	19	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(CC[6a]O){1|O<1>,4|C<3>}	121.6280	0.000	1	121.6280	0.000	1	122.3203	1.896	4	122.6615	0.638	19	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|O<1>,2|C<3>}	121.1830	0.000	1	121.6795	0.493	2	122.3203	1.896	4	122.6615	0.638	19	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){2|Cl<1>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(COO){1|O<1>,2|C<3>}	122.1760	0.000	1	121.6795	0.493	2	122.3203	1.896	4	122.6615	0.638	19	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	122.0830	0.000	1	122.0830	0.000	1	122.8767	0.247	10	122.6615	0.638	19	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	122.7953	0.301	3	122.7953	0.090	3	122.8767	0.247	10	122.6615	0.638	19	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	122.8710	0.126	2	122.8710	0.016	2	122.8767	0.247	10	122.6615	0.638	19	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]S)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|S<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]S){1|O<1>,2|H<1>,4|C<3>}	123.5580	0.526	2	123.5580	0.277	2	122.8767	0.247	10	122.6615	0.638	19	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2{1|O<1>,2|H<1>,6|C<3>}	122.4700	0.000	1	122.4700	0.000	1	122.8767	0.247	10	122.6615	0.638	19	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Br)(C[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	122.9700	0.000	1	122.9700	0.000	1	122.8767	0.247	10	122.6615	0.638	19	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	123.2470	0.069	2	123.2470	0.005	2	122.9507	0.266	3	122.6615	0.638	19	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:N-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	122.3580	0.000	1	122.3580	0.000	1	122.9507	0.266	3	122.6615	0.638	19	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:S-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,1|S<3>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SCO){1|O<1>,2|C<3>}	122.3250	0.000	1	122.3250	0.000	1	121.8340	0.482	2	122.6615	0.638	19	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:S-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(H){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(SCO){1|O<1>,2|C<3>}	121.3430	0.000	1	121.3430	0.000	1	121.8340	0.482	2	122.6615	0.638	19	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCHH){1|O<1>,2|C<3>}	123.0220	0.000	1	123.0220	0.000	1	122.6167	0.498	3	122.6167	0.498	3	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(CH3){1|O<1>,2|C<3>}	123.0260	0.000	1	123.0260	0.000	1	122.6167	0.498	3	122.6167	0.498	3	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	121.8020	0.000	1	121.8020	0.000	1	122.6167	0.498	3	122.6167	0.498	3	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O){1|H<1>,4|C<3>}	127.3090	0.000	1	127.3090	0.000	1	127.1938	0.194	5	126.9018	0.666	6	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O){1|H<1>,4|C<3>}	127.4163	0.012	3	127.1650	0.253	4	127.1938	0.194	5	126.9018	0.666	6	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]O){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]O)(O){1|H<1>,4|C<3>}	126.4110	0.000	1	127.1650	0.253	4	127.1938	0.194	5	126.9018	0.666	6	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]O)	C[6a](N[6a]C[6a,6a]O)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]O)(C[6a]N[6a]O)(O){1|O<2>,2|C<3>}	125.4420	0.000	1	125.4420	0.000	1	125.4420	0.000	1	126.9018	0.666	6	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]2)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)(O){1|N<2>,3|C<3>}	122.3070	0.082	2	122.3070	0.007	2	122.3070	0.007	2	122.3070	0.007	2	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	122.6230	0.000	1	122.6230	0.000	1	122.2305	0.308	2	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	121.8380	0.000	1	121.8380	0.000	1	122.2305	0.308	2	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	124.4100	0.000	1	124.4100	0.000	1	124.4100	0.000	1	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	124.2147	0.166	3	124.1873	0.021	4	123.7570	0.494	6	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|N<3>,6|C<3>}	124.1050	0.000	1	124.1873	0.021	4	123.7570	0.494	6	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	123.2000	0.000	1	122.8965	0.184	2	123.7570	0.494	6	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|F<1>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	122.5930	0.000	1	122.8965	0.184	2	123.7570	0.494	6	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	124.3410	0.000	1	124.0671	0.098	8	123.7501	0.447	12	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	124.0280	0.317	7	124.0671	0.098	8	123.7501	0.447	12	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	122.3760	0.000	1	122.3760	0.000	1	123.7501	0.447	12	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	122.5220	0.000	1	122.5220	0.000	1	123.7501	0.447	12	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	123.8920	0.000	1	123.7830	0.024	2	123.7501	0.447	12	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	123.6740	0.000	1	123.7830	0.024	2	123.7501	0.447	12	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[5a,6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O){1|O<2>,6|C<3>}	124.7730	0.000	1	124.7730	0.000	1	124.7730	0.000	1	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|O<1>,4|C<3>}	120.3000	0.000	1	120.4355	0.037	2	120.2937	0.079	3	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(H){1|O<1>,4|C<3>}	120.5710	0.000	1	120.4355	0.037	2	120.2937	0.079	3	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|O<1>,4|C<3>}	120.0100	0.000	1	120.0100	0.000	1	120.2937	0.079	3	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){1|H<1>,6|C<3>}	124.3390	0.000	1	124.3390	0.000	1	123.3086	0.825	8	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(O){4|C<3>}	121.8740	0.000	1	121.8740	0.000	1	123.3086	0.825	8	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O){7|C<3>}	123.9080	0.000	1	123.9080	0.000	1	123.3086	0.825	8	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(O){1|C<4>,4|C<3>}	122.8065	0.622	2	122.8065	0.386	2	123.3086	0.825	8	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	124.2210	0.000	1	123.5783	0.594	3	123.3086	0.825	8	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|Cl<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|Cl<1>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	123.7900	0.000	1	123.5783	0.594	3	123.3086	0.825	8	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|C<4>,4|C<3>}	122.7240	0.000	1	123.5783	0.594	3	123.3086	0.825	8	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]N)	C[6a](N[6a]C[6a,6a]N)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]N){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]N)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	121.0010	0.000	1	121.0010	0.000	1	121.0010	0.000	1	123.2217	1.672	34	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	119.0760	0.000	1	119.0760	0.000	1	119.0760	0.000	1	119.7825	0.998	2	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:S-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]S){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,1|S<2>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC){1|O<1>,6|C<3>}	120.4890	0.000	1	120.4890	0.000	1	120.4890	0.000	1	119.7825	0.998	2	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[5a,6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	121.5910	0.000	2	121.5910	0.000	2	121.5910	0.000	2	121.1042	0.563	4	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(COO){1|O<1>,4|C<3>}	120.0090	0.000	1	120.0090	0.000	1	120.6175	0.741	2	121.1042	0.563	4	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Si<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CCC){1|O<1>,4|C<3>}	121.2260	0.000	1	121.2260	0.000	1	120.6175	0.741	2	121.1042	0.563	4	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCHH){1|O<1>,4|C<3>}	120.9020	0.000	1	120.9020	0.000	1	120.7177	1.493	4	120.7177	1.493	4	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CH3){1|O<1>,4|C<3>}	121.7470	0.000	1	121.7470	0.000	1	120.7177	1.493	4	120.7177	1.493	4	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CF3){1|O<1>,4|C<3>}	118.9600	0.000	1	118.9600	0.000	1	120.7177	1.493	4	120.7177	1.493	4	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CH3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Si<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CH3){1|O<1>,4|C<3>}	121.2620	0.000	1	121.2620	0.000	1	120.7177	1.493	4	120.7177	1.493	4	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,2|O<1>,2|O<2>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	122.1120	0.000	1	122.1120	0.000	1	122.9625	0.300	16	122.9625	0.300	16	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	123.2798	0.295	6	123.1288	0.269	12	122.9625	0.300	16	122.9625	0.300	16	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	123.3780	0.482	2	123.1288	0.269	12	122.9625	0.300	16	122.9625	0.300	16	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){2|C<3>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	122.7775	0.716	4	123.1288	0.269	12	122.9625	0.300	16	122.9625	0.300	16	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<3>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	122.6565	0.095	2	122.5810	0.022	3	122.9625	0.300	16	122.9625	0.300	16	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	122.4300	0.000	1	122.5810	0.022	3	122.9625	0.300	16	122.9625	0.300	16	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,1|O<2>,2|N<2>,2|N<3>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(O){1|C<3>,1|N<2>,1|N<3>}	121.0845	0.357	2	121.0845	0.128	2	121.0845	0.128	2	121.0845	0.128	2	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:N-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO){1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(NC){1|C<3>,1|N<2>,1|O<1>}	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]O)(CC[6a]HH){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	124.8550	0.000	1	124.8550	0.000	1	124.8550	0.000	1	120.8260	2.536	46	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	119.1039	0.536	9	119.2700	0.181	20	119.2700	0.181	20	120.8260	2.536	46	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	119.3872	0.258	9	119.2700	0.181	20	119.2700	0.181	20	120.8260	2.536	46	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	119.4905	0.380	2	119.2700	0.181	20	119.2700	0.181	20	120.8260	2.536	46	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<3>,1|C<4>,1|N<2>}	122.6390	0.250	2	122.6390	0.063	2	122.3303	0.184	7	120.8260	2.536	46	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){1|N<2>,1|N<3>,3|C<3>}	122.0375	0.258	4	122.0375	0.067	4	122.3303	0.184	7	120.8260	2.536	46	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3){1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O){1|N<2>,2|C<3>}	122.8840	0.000	1	122.8840	0.000	1	122.3303	0.184	7	120.8260	2.536	46	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]2)(O){1|N<2>,1|O<1>,3|C<3>}	123.1830	0.000	1	123.1830	0.000	1	121.7459	0.813	18	120.8260	2.536	46	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	123.3480	0.000	1	122.5997	0.482	3	121.7459	0.813	18	120.8260	2.536	46	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	121.9770	0.000	1	122.5997	0.482	3	121.7459	0.813	18	120.8260	2.536	46	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	122.4740	0.000	1	122.5997	0.482	3	121.7459	0.813	18	120.8260	2.536	46	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	121.9463	0.231	4	121.9463	0.054	4	121.7459	0.813	18	120.8260	2.536	46	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	121.4550	0.325	4	121.5942	0.176	5	121.7459	0.813	18	120.8260	2.536	46	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	122.1510	0.000	1	121.5942	0.176	5	121.7459	0.813	18	120.8260	2.536	46	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	120.9137	1.183	4	120.9378	1.052	5	121.7459	0.813	18	120.8260	2.536	46	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	121.0340	0.000	1	120.9378	1.052	5	121.7459	0.813	18	120.8260	2.536	46	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:O[6a]-2:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(O[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(O[6a]C[6a])(O){1|O<1>,2|C<3>}	122.7310	0.000	1	122.7310	0.000	1	122.7650	0.002	2	122.7650	0.002	2	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:O[6a]-2:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(O[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(O[6a]C[6a])(O){1|O<1>,2|C<3>}	122.7990	0.000	1	122.7990	0.000	1	122.7650	0.002	2	122.7650	0.002	2	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O){1|O<2>,4|C<3>}	123.7390	0.000	1	123.7390	0.000	1	123.7390	0.000	1	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	122.4835	0.185	2	122.4835	0.034	2	122.4835	0.034	2	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	123.7020	0.000	1	123.7020	0.000	1	123.7020	0.000	1	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){1|N<3>,4|C<3>}	123.7280	0.000	1	123.9810	0.128	2	123.0417	0.328	9	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){1|N<3>,4|C<3>}	124.2340	0.000	1	123.9810	0.128	2	123.0417	0.328	9	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	122.8645	0.200	2	122.8645	0.040	2	123.0417	0.328	9	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	122.7570	0.000	1	122.7570	0.000	1	123.0417	0.328	9	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	122.8510	0.246	2	122.8510	0.061	2	123.0417	0.328	9	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	122.6125	0.207	2	122.6125	0.043	2	123.0417	0.328	9	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(O){1|C<4>,4|C<3>}	122.9570	0.000	1	122.9570	0.000	1	122.7004	0.153	16	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.4750	0.000	1	122.4750	0.000	1	122.7004	0.153	16	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6,6a]C[5,6,6]C[6,6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6]C[6,6a])(N[6a]C[6a,6a]C)(O){2|C<3>,2|C<4>,2|O<2>}	123.2720	0.072	2	123.2720	0.005	2	122.7004	0.153	16	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.8847	0.183	4	122.8847	0.034	4	122.7004	0.153	16	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.3188	0.244	6	122.3188	0.060	6	122.7004	0.153	16	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,4|C<3>}	122.7470	0.000	1	122.8895	0.041	2	122.7004	0.153	16	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	123.0320	0.000	1	122.8895	0.041	2	122.7004	0.153	16	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	122.4925	0.282	2	122.4925	0.080	2	122.9974	0.292	5	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	123.0190	0.000	1	123.0190	0.000	1	122.9974	0.292	5	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]C)(O){1|O<2>,4|C<3>}	123.7020	0.000	1	123.7020	0.000	1	122.9974	0.292	5	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	123.2810	0.000	1	123.2810	0.000	1	122.9974	0.292	5	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){1|S<2>,3|C<3>}	122.5120	0.000	1	122.4315	0.013	2	122.3963	0.284	23	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	122.3510	0.000	1	122.4315	0.013	2	122.3963	0.284	23	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	122.4437	0.457	7	122.4437	0.209	7	122.3963	0.284	23	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	122.1350	0.328	2	122.1350	0.108	2	122.3963	0.284	23	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	122.1440	0.000	1	122.1440	0.000	1	122.3963	0.284	23	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	122.4960	0.456	3	122.4960	0.208	3	122.3963	0.284	23	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	123.9110	0.000	1	123.9110	0.000	1	122.3963	0.284	23	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	122.5938	0.176	4	122.5938	0.031	4	122.3963	0.284	23	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	121.7130	0.000	1	121.6530	0.004	3	122.3963	0.284	23	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	121.6230	0.052	2	121.6530	0.004	3	122.3963	0.284	23	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	124.3600	0.334	2	124.3600	0.111	2	124.0960	0.135	4	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){5|C<3>}	123.7500	0.000	1	123.7500	0.000	1	124.0960	0.135	4	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	123.9140	0.000	1	123.9140	0.000	1	124.0960	0.135	4	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|F<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	118.1547	0.941	3	118.1547	0.886	3	119.6561	3.558	53	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	119.5925	0.074	2	119.7343	0.097	39	119.6561	3.558	53	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	119.7015	0.487	2	119.7343	0.097	39	119.6561	3.558	53	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	119.7462	0.328	32	119.7343	0.097	39	119.6561	3.558	53	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	119.7243	0.179	3	119.7343	0.097	39	119.6561	3.558	53	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|O<1>,2|C<3>}	107.7560	0.000	1	107.7560	0.000	1	119.6561	3.558	53	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(H){1|O<1>,2|C<3>}	120.0100	0.000	1	120.0100	0.000	1	119.6561	3.558	53	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	120.5580	0.000	1	120.5580	0.000	1	119.6561	3.558	53	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C){2|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.6620	0.075	2	121.6620	0.006	2	119.6561	3.558	53	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]B[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]B[6a]C)(H){1|Cl<1>,2|C<3>}	122.1750	0.202	2	122.1750	0.041	2	119.6561	3.558	53	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(H){1|O<1>,4|C<3>}	119.8795	0.442	2	119.8795	0.195	2	119.6561	3.558	53	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|S<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	122.6240	0.000	1	122.6240	0.000	1	119.6561	3.558	53	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|O<1>,2|C<3>}	119.2920	0.000	1	119.2920	0.000	1	119.6561	3.558	53	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	122.1370	0.000	1	122.2025	0.029	6	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	122.2880	0.141	3	122.2025	0.029	6	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	121.9350	0.000	1	122.2025	0.029	6	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){3|C<3>}	122.2790	0.000	1	122.2025	0.029	6	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|O<2>,2|C<3>}	121.4650	0.000	1	122.8487	0.952	4	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){3|C<3>}	123.3100	0.390	3	122.8487	0.952	4	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	121.6447	0.246	7	121.6447	0.060	7	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){2|C<3>}	122.3940	0.000	1	122.3682	0.041	6	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	122.4368	0.178	4	122.3682	0.041	6	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	122.0680	0.000	1	122.3682	0.041	6	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	122.7925	0.366	2	122.7925	0.134	2	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	121.3983	0.249	3	121.3983	0.062	3	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){3|C<3>}	122.7485	0.077	2	122.7485	0.006	2	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]I)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|I<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]I)(O){3|C<3>}	122.7250	0.000	1	122.7250	0.000	1	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	121.6283	0.284	4	121.9284	0.397	7	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	122.3287	0.807	3	121.9284	0.397	7	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){2|C<3>}	122.1930	0.000	1	122.1979	0.090	8	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	122.2230	0.211	3	122.1979	0.090	8	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	121.9250	0.035	2	122.1979	0.090	8	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	122.0640	0.000	1	122.1979	0.090	8	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	122.8070	0.000	1	122.1979	0.090	8	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|C<4>,2|C<3>}	123.4860	0.000	1	123.4860	0.000	1	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){1|Cl<1>,4|C<3>}	123.3760	0.000	1	123.1913	0.190	7	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){1|O<2>,4|C<3>}	122.3900	0.000	1	123.1913	0.190	7	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){1|H<1>,4|C<3>}	123.6870	0.000	1	123.1913	0.190	7	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){5|C<3>}	123.2215	0.268	4	123.1913	0.190	7	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){3|C<3>}	123.1605	0.097	2	122.9073	0.357	13	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	122.1027	0.369	3	122.9073	0.357	13	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	123.4080	0.000	1	122.9073	0.357	13	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	123.3410	0.000	1	122.9073	0.357	13	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){3|C<3>}	123.0040	0.000	1	122.9073	0.357	13	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	123.1473	0.806	3	122.9073	0.357	13	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){3|C<3>}	122.9855	0.049	2	122.9073	0.357	13	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	123.2010	0.000	1	123.2010	0.000	1	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O){1|O<2>,2|C<3>}	123.5100	0.000	1	123.3110	0.079	2	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O){3|C<3>}	123.1120	0.000	1	123.3110	0.079	2	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]O)(O){3|C<3>}	122.8630	0.000	1	122.8630	0.000	1	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]P)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|P<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]P)(O){1|H<1>,2|C<3>}	123.1270	0.000	1	123.1270	0.000	1	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]Se)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|Se<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]Se)(O){3|C<3>}	124.4620	0.000	1	124.4620	0.000	1	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	121.8005	0.469	2	121.8005	0.220	2	122.4922	0.533	75	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	122.8480	0.273	2	122.8480	0.074	2	122.2998	0.244	6	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	122.3870	0.000	1	122.3870	0.000	1	122.2998	0.244	6	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	121.9053	0.185	3	121.9053	0.034	3	122.2998	0.244	6	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|Cl<1>,1|F<1>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	118.9740	0.000	1	119.0005	0.001	2	119.5784	0.182	64	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|Cl<1>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl){1|F<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.0270	0.000	1	119.0005	0.001	2	119.5784	0.182	64	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]F)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|F<1>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]F){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.5963	0.406	9	119.5963	0.164	9	119.5784	0.182	64	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.7660	0.000	1	119.6993	0.135	40	119.5784	0.182	64	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.6785	0.357	38	119.6993	0.135	40	119.5784	0.182	64	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	120.4220	0.000	1	119.6993	0.135	40	119.5784	0.182	64	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.4870	0.000	1	119.4870	0.000	1	119.5784	0.182	64	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]N)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|N<3>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]N){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	118.9750	0.000	1	118.9750	0.000	1	119.5784	0.182	64	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|O<2>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O){1|F<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	118.9790	0.000	1	119.2923	0.238	11	119.5784	0.182	64	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|O<2>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.3236	0.502	10	119.2923	0.238	11	119.5784	0.182	64	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]C[6])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.0990	0.201	3	119.0990	0.040	3	119.0990	0.040	3	121.2301	3.277	262	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	C[3x6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	119.4780	0.000	1	119.4780	0.000	1	119.4780	0.000	1	119.0800	0.317	2	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	119.0800	0.317	2	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CH3)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	121.2210	0.000	1	121.2210	0.000	1	121.2210	0.000	1	120.2510	0.625	7	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	119.5150	0.000	1	119.5150	0.000	1	120.0893	0.531	6	120.2510	0.625	7	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	119.2980	0.000	1	119.2980	0.000	1	120.0893	0.531	6	120.2510	0.625	7	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	119.6000	0.000	1	119.6000	0.000	1	120.0893	0.531	6	120.2510	0.625	7	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	120.7077	0.394	3	120.7077	0.155	3	120.0893	0.531	6	120.2510	0.625	7	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:4:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	119.2057	0.587	3	119.2057	0.345	3	119.2057	0.345	3	119.2057	0.345	3	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:4:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a])	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	121.0040	0.000	1	121.0040	0.000	1	121.0040	0.000	1	121.0040	0.000	1	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:4:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(O){1|O<2>,2|C<4>,3|C<3>}	122.7120	0.000	1	122.7120	0.000	1	122.7120	0.000	1	122.0920	0.312	3	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:4:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a,6a]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.9350	0.000	1	121.9350	0.000	1	121.9350	0.000	1	122.0920	0.312	3	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:4:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	121.6290	0.000	1	121.6290	0.000	1	121.6290	0.000	1	122.0920	0.312	3	122.2933	4.599	582	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:1:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:C[6a]-3:	C[3x6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])(H){5|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,4|N<2>}	120.6680	0.000	1	120.6680	0.000	1	120.6680	0.000	1	120.6680	0.000	1	120.3395	1.477	13	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	120.7730	0.000	1	120.7730	0.000	1	120.7730	0.000	1	120.7730	0.000	1	120.3395	1.477	13	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]H)(C[5a]C[5a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]H)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[5,6a]H)(N[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	123.3230	0.000	1	123.3230	0.000	1	123.3230	0.000	1	123.3230	0.000	1	120.3395	1.477	13	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C[6a]-3:	C[3x6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)2{2|H<1>,8|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	121.1305	0.213	2	121.1305	0.045	2	121.1305	0.045	2	121.1305	0.045	2	120.3395	1.477	13	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(COO){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,5|C<3>}	119.1705	0.114	2	119.1705	0.013	2	119.1705	0.013	2	119.9802	0.598	5	120.3395	1.477	13	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,3|H<1>,7|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	120.8340	0.000	1	120.8340	0.000	1	120.5200	0.097	3	119.9802	0.598	5	120.3395	1.477	13	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{2|N<2>,4|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	120.5140	0.000	1	120.5140	0.000	1	120.5200	0.097	3	119.9802	0.598	5	120.3395	1.477	13	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2{1|Si<4>,3|H<1>,7|C<3>}	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	120.2120	0.000	1	120.2120	0.000	1	120.5200	0.097	3	119.9802	0.598	5	120.3395	1.477	13	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	119.1805	0.177	2	119.1805	0.032	2	119.1805	0.032	2	119.1623	0.017	3	120.3395	1.477	13	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6]-4:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](N[6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2H){1|Br<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	119.1260	0.000	1	119.1260	0.000	1	119.1260	0.000	1	119.1623	0.017	3	120.3395	1.477	13	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	2:3:2:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	S-2:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(H)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(H){1|C<3>}	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|S<2>}	121.1743	0.382	3	121.1743	0.146	3	121.1743	0.146	3	121.1743	0.146	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[5a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5a,6a]O)(H)	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	C[6a](N[6a]N[5a,6a])(C[5a]C[5a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	123.8190	0.868	2	123.8190	0.754	2	123.8190	0.754	2	124.5520	1.917	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	C[5,6a]-3:N[6a]-3:Cl-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]Cl)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5,6a]Cl)(H){1|N<3>,3|C<3>}	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	127.4050	0.000	1	127.4050	0.000	1	127.4050	0.000	1	124.5520	1.917	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<4>,2|C<3>,2|N<2>}	125.6700	1.100	2	125.6700	1.211	2	125.1287	1.484	3	124.5520	1.917	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)(H){1|N<3>,3|C<3>}	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	124.0460	0.000	1	124.0460	0.000	1	125.1287	1.484	3	124.5520	1.917	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	124.2700	0.000	1	123.7728	0.297	4	123.7728	0.297	4	124.5520	1.917	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	123.9320	0.000	1	123.7728	0.297	4	123.7728	0.297	4	124.5520	1.917	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,2|C<3>,2|N<2>}	122.9960	0.000	1	123.7728	0.297	4	123.7728	0.297	4	124.5520	1.917	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	123.8930	0.000	1	123.7728	0.297	4	123.7728	0.297	4	124.5520	1.917	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	2:4:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[5]-4:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(H)	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(N[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	123.4830	0.000	1	123.4830	0.000	1	123.4830	0.000	1	123.4830	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){2|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<2>,2|H<1>}	124.4400	0.000	1	124.4400	0.000	1	123.5553	0.601	3	122.8024	1.569	12	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,2|H<1>}	123.1130	0.170	2	123.1130	0.029	2	123.5553	0.601	3	122.8024	1.569	12	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H){1|O<1>,2|N<2>}	121.6680	1.437	2	121.6680	2.065	2	121.6680	2.065	2	122.8024	1.569	12	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<2>,1|O<1>}	124.5780	0.000	1	124.5695	0.000	2	124.5695	0.000	2	122.8024	1.569	12	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]H)2(O){1|N<2>,1|O<1>,1|O<2>}	124.5610	0.000	1	124.5695	0.000	2	124.5695	0.000	2	122.8024	1.569	12	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:N[6a]-3:Br-1:	N[6a](C[6a]C[6a]Br)(C[6a]O[6a]O)(H)	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Br)	N[6a](C[6a]C[6a]Br)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O){1|Br<1>,1|C<3>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Br){1|O<2>,2|O<1>}	121.7715	0.776	2	121.7715	0.602	2	121.7715	0.602	2	122.8024	1.569	12	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:N[6a]-3:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]O[6a]O)(H)	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]O[6a]O)(H){1|Cl<1>,1|C<3>}	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O){1|Cl<1>,1|C<3>,1|O<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(Cl){1|O<2>,2|O<1>}	122.4290	0.000	1	122.4290	0.000	1	122.4290	0.000	1	122.8024	1.569	12	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(H)	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|O<2>,2|O<1>}	122.2580	0.105	2	122.2580	0.011	2	122.2580	0.011	2	122.8024	1.569	12	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:1:	3:3:4:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:O[6a]-2:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]O[6a]O)(H)	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]O[6a]O)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(O[6a]C[6a])(O){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|O<2>,2|O<1>}	124.0870	0.000	1	124.0870	0.000	1	124.0870	0.000	1	124.0870	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(H){1|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<2>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|O<2>}	120.4680	0.000	1	120.4680	0.000	1	120.4680	0.000	1	120.4680	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<2>,2|O<2>}	121.9010	0.000	1	121.9010	0.000	1	121.9010	0.000	1	121.0127	1.045	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|N<2>,1|O<1>,1|O<2>}	119.8950	0.000	1	119.8950	0.000	1	119.8950	0.000	1	121.0127	1.045	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[6a]){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>}	121.2420	0.000	1	121.2420	0.000	1	121.2420	0.000	1	121.0127	1.045	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	123.2100	0.000	1	123.2100	0.000	1	123.2100	0.000	1	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>}	120.2470	0.000	1	120.2470	0.000	1	120.2470	0.000	1	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	122.6037	0.112	4	122.6037	0.012	4	122.6449	0.314	42	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	123.3670	0.000	1	122.7313	0.306	3	122.6449	0.314	42	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|O<2>}	122.4135	0.078	2	122.7313	0.306	3	122.6449	0.314	42	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	122.1750	0.038	2	122.1750	0.001	2	122.6449	0.314	42	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	122.9800	0.068	2	122.9800	0.005	2	122.6449	0.314	42	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	123.0787	0.691	4	123.0880	0.359	5	122.6449	0.314	42	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	123.1250	0.000	1	123.0880	0.359	5	122.6449	0.314	42	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|F<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>}	124.2330	0.000	1	124.2330	0.000	1	122.6449	0.314	42	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	122.9873	0.149	3	122.5370	0.261	21	122.6449	0.314	42	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>}	122.6850	0.000	1	122.5370	0.261	21	122.6449	0.314	42	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	122.3349	0.468	14	122.5370	0.261	21	122.6449	0.314	42	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|Cl<1>,1|N<2>,1|N<3>}	122.9810	0.514	3	122.5370	0.261	21	122.6449	0.314	42	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	122.5230	0.224	3	122.3035	0.226	4	122.6449	0.314	42	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	121.6450	0.000	1	122.3035	0.226	4	122.6449	0.314	42	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,2|C<4>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	123.7780	0.669	2	123.7780	0.447	2	123.7780	0.447	2	122.6543	0.488	46	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,2|C<4>}	123.0690	0.000	1	123.0690	0.000	1	123.3692	0.095	5	123.3692	0.095	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){2|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	123.8400	0.000	1	123.8400	0.000	1	123.3692	0.095	5	123.3692	0.095	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:2:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,2|C<4>}	123.3123	0.172	3	123.3123	0.029	3	123.3692	0.095	5	123.3692	0.095	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:H-1:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(N[6a]C[6a]H)(H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(N[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	123.7545	0.360	2	123.7545	0.130	2	123.7545	0.130	2	125.1976	1.071	49	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	125.6990	0.000	1	125.4490	0.233	19	125.4490	0.233	19	125.1976	1.071	49	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	125.5079	0.437	11	125.4490	0.233	19	125.4490	0.233	19	125.1976	1.071	49	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	125.3285	0.251	2	125.4490	0.233	19	125.4490	0.233	19	125.1976	1.071	49	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	125.3176	0.708	5	125.4490	0.233	19	125.4490	0.233	19	125.1976	1.071	49	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:S-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(S)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<1>}	126.2690	0.000	1	126.2690	0.000	1	126.2690	0.000	1	125.1976	1.071	49	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	124.8560	0.000	1	124.6670	0.049	3	125.2460	0.672	16	125.1976	1.071	49	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|N<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	124.5725	0.211	2	124.6670	0.049	3	125.2460	0.672	16	125.1976	1.071	49	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	125.4722	0.896	11	125.3796	0.729	13	125.2460	0.672	16	125.1976	1.071	49	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<1>}	125.0880	0.000	1	125.3796	0.729	13	125.2460	0.672	16	125.1976	1.071	49	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	124.6530	0.000	1	125.3796	0.729	13	125.2460	0.672	16	125.1976	1.071	49	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:S-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(S){1|C<3>,1|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<1>}	125.0280	0.000	1	125.0280	0.000	1	125.0280	0.000	1	125.1976	1.071	49	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:Cl-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]Cl)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]Cl)(H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(Cl){1|O<1>,2|C<3>}	121.5190	0.000	1	121.5190	0.000	1	121.5190	0.000	1	125.1976	1.071	49	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	123.3560	0.375	3	123.3560	0.141	3	123.3560	0.141	3	125.1976	1.071	49	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|O<1>,2|N<2>,2|N<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	125.8010	0.385	3	125.8010	0.148	3	126.1372	0.233	6	125.1976	1.071	49	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	126.4733	0.307	3	126.4733	0.095	3	126.1372	0.233	6	125.1976	1.071	49	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-2:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Ru<6>,1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NH){1|C<3>,1|N<3>,1|O<1>}	126.7600	0.000	1	126.7600	0.000	1	126.7600	0.000	1	123.7471	2.888	15	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC){1|O<1>,2|C<3>}	124.8305	0.537	2	124.8305	0.288	2	125.1028	0.365	4	123.7471	2.888	15	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|S<2>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC){1|O<1>,2|C<3>}	125.8800	0.000	1	125.8800	0.000	1	125.1028	0.365	4	123.7471	2.888	15	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NH){1|C<3>,1|N<3>,1|O<1>}	124.8700	0.000	1	124.8700	0.000	1	125.1028	0.365	4	123.7471	2.888	15	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|S<2>}	122.6880	0.000	1	122.6880	0.000	1	122.6880	0.000	1	123.7471	2.888	15	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<3>,1|O<1>}	125.0505	0.255	2	125.0505	0.065	2	125.0505	0.065	2	123.7471	2.888	15	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<1>}	121.2650	0.000	1	121.3735	0.024	2	121.3735	0.024	2	123.7471	2.888	15	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<1>}	121.4820	0.000	1	121.3735	0.024	2	121.3735	0.024	2	123.7471	2.888	15	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<3>,1|O<1>}	121.6190	0.000	1	122.5973	0.447	4	122.5973	0.447	4	123.7471	2.888	15	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<3>,1|O<1>}	122.9233	0.181	3	122.5973	0.447	4	122.5973	0.447	4	123.7471	2.888	15	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(SC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|S<2>,2|C<3>,2|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(SC){1|C<3>,1|N<2>,1|O<1>}	123.1110	0.000	1	123.1110	0.000	1	123.1110	0.000	1	123.7471	2.888	15	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	125.7777	1.186	14	125.7490	0.852	54	125.7490	0.852	54	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	125.8561	0.568	18	125.7490	0.852	54	125.7490	0.852	54	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Os<9>,1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	125.9460	0.000	1	125.7490	0.852	54	125.7490	0.852	54	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Pt<4>,1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	125.4359	1.125	15	125.7490	0.852	54	125.7490	0.852	54	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Re<6>,1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	126.5710	0.211	2	125.7490	0.852	54	125.7490	0.852	54	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Rh<5>,1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	125.8320	0.000	1	125.7490	0.852	54	125.7490	0.852	54	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Ru<6>,1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	126.4350	0.000	1	125.7490	0.852	54	125.7490	0.852	54	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Ru<9>,1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	125.4790	0.000	1	125.7490	0.852	54	125.7490	0.852	54	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|Zn<4>,1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	125.7780	0.000	1	125.7490	0.852	54	125.7490	0.852	54	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|Br<1>,2|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	125.8170	0.000	1	125.5793	0.052	3	125.2378	0.494	39	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	125.3620	0.000	1	125.5793	0.052	3	125.2378	0.494	39	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	125.5590	0.000	1	125.5793	0.052	3	125.2378	0.494	39	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,1|O<1>}	125.0625	0.894	4	124.9863	0.507	6	125.2378	0.494	39	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<1>}	124.8340	0.255	2	124.9863	0.507	6	125.2378	0.494	39	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[5]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[5]H){1|C<3>,1|N<3>,1|O<1>}	124.8015	0.183	2	124.8015	0.034	2	125.2378	0.494	39	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	124.6320	0.000	2	124.6320	0.000	2	125.2378	0.494	39	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	125.4209	0.625	25	125.4209	0.390	25	125.2378	0.494	39	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	123.2290	0.000	1	123.2290	0.000	1	125.2378	0.494	39	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|N<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	122.0370	0.000	1	122.8780	1.415	2	122.8815	0.722	6	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	123.7190	0.000	1	122.8780	1.415	2	122.8815	0.722	6	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|N<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCC){1|C<3>,1|N<3>,1|O<1>}	121.6930	0.000	1	121.6930	0.000	1	122.8815	0.722	6	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,1|O<1>}	123.3165	0.547	2	123.3165	0.299	2	122.8815	0.722	6	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|N<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	123.2070	0.000	1	123.2070	0.000	1	122.8815	0.722	6	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[5]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[5]C){1|O<1>,2|C<3>}	123.6480	0.000	1	123.6480	0.000	1	123.2060	0.391	2	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[6a]O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[6a]O){1|O<1>,2|C<3>}	122.7640	0.000	1	122.7640	0.000	1	123.2060	0.391	2	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NC[6a]H){1|O<1>,2|C<3>}	123.3040	0.000	1	123.3040	0.000	1	123.7130	0.265	3	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<1>}	123.9175	0.528	2	123.9175	0.279	2	123.7130	0.265	3	125.2843	1.271	104	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CCl3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CCl3){1|O<1>,2|C<3>}	122.1067	0.424	3	122.1067	0.180	3	122.1067	0.180	3	122.1067	0.180	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(H){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<1>}	120.4630	0.000	1	120.4630	0.000	1	120.4630	0.000	1	122.0471	0.458	89	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|H<1>}	123.5060	0.000	1	123.5060	0.000	1	122.0022	0.224	79	122.0471	0.458	89	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	122.0113	0.340	45	122.0113	0.116	45	122.0022	0.224	79	122.0471	0.458	89	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	121.9079	0.528	32	121.9441	0.314	33	122.0022	0.224	79	122.0471	0.458	89	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|N<2>,1|N<4>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<4>}	123.1010	0.000	1	121.9441	0.314	33	122.0022	0.224	79	122.0471	0.458	89	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<1>}	121.2990	0.000	1	122.3900	0.678	4	121.9639	0.631	7	122.0471	0.458	89	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<1>,1|O<2>}	122.7537	0.472	3	122.3900	0.678	4	121.9639	0.631	7	122.0471	0.458	89	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<1>}	121.5380	0.000	1	121.3957	0.029	3	121.9639	0.631	7	122.0471	0.458	89	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(H){1|C<3>,1|O<1>,1|O<2>}	121.3245	0.165	2	121.3957	0.029	3	121.9639	0.631	7	122.0471	0.458	89	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:S-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|S<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S){1|O<1>,2|C<3>}	124.8730	0.000	1	124.8730	0.000	1	124.9050	0.002	2	122.0471	0.458	89	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:S-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S){1|C<3>,1|C<4>,1|O<1>}	124.9370	0.000	1	124.9370	0.000	1	124.9050	0.002	2	122.0471	0.458	89	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|O<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|O<1>}	123.0740	0.000	1	123.0740	0.000	1	123.0740	0.000	1	122.5312	0.163	8	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|O<1>,2|C<3>}	122.2020	0.000	1	122.4250	0.133	5	122.4537	0.134	7	122.5312	0.163	8	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>}	122.6190	0.000	1	122.4250	0.133	5	122.4537	0.134	7	122.5312	0.163	8	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>}	122.4347	0.471	3	122.4250	0.133	5	122.4537	0.134	7	122.5312	0.163	8	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	122.1670	0.000	1	122.1670	0.000	1	122.4537	0.134	7	122.5312	0.163	8	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[5])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|S<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(SC[5]){1|O<1>,2|C<3>}	122.8840	0.000	1	122.8840	0.000	1	122.4537	0.134	7	122.5312	0.163	8	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	123.3035	0.732	2	123.3035	0.536	2	122.7957	1.041	3	122.7957	1.041	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<1>,2|C<3>}	121.7800	0.000	1	121.7800	0.000	1	122.7957	1.041	3	122.7957	1.041	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CCCN){1|O<1>,2|C<3>}	123.9140	0.000	1	123.9140	0.000	1	124.2435	0.217	2	124.2435	0.217	2	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:2:4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(CH3){1|O<1>,2|C<3>}	124.5730	0.000	1	124.5730	0.000	1	124.2435	0.217	2	124.2435	0.217	2	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(C){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	126.7320	0.000	1	126.7320	0.000	1	126.7320	0.000	1	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,2|N<2>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	128.4220	0.000	1	129.4200	1.155	3	128.7675	1.085	6	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	129.9190	0.904	2	129.4200	1.155	3	128.7675	1.085	6	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	128.1150	0.528	3	128.1150	0.279	3	128.7675	1.085	6	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.3540	0.407	3	121.3540	0.166	3	121.3540	0.166	3	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	128.6220	0.612	2	128.6220	0.375	2	128.5735	0.125	18	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	128.6147	0.358	13	128.5839	0.131	14	128.5735	0.125	18	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	128.1840	0.000	1	128.5839	0.131	14	128.5735	0.125	18	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[5a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	128.4520	0.057	2	128.4520	0.003	2	128.5735	0.125	18	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	123.6010	0.000	1	123.6010	0.000	1	123.6010	0.000	1	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	127.2940	0.000	1	127.2940	0.000	1	126.5783	1.675	11	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|O<1>,2|N<3>,3|C<3>}	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	125.6970	0.000	1	125.6970	0.000	1	126.5783	1.675	11	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,3|N<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	126.7750	0.000	2	126.6647	0.037	3	126.5783	1.675	11	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|N<2>,1|O<1>,3|N<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	126.4440	0.000	1	126.6647	0.037	3	126.5783	1.675	11	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	127.0470	0.000	1	127.0470	0.000	1	126.5783	1.675	11	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|Pd<4>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	129.5990	0.000	1	129.5990	0.000	1	126.5783	1.675	11	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	125.6825	0.968	4	125.6825	0.937	4	126.5783	1.675	11	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	124.1310	0.296	5	124.1310	0.088	5	124.1310	0.088	5	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)2(H){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	127.3395	0.149	2	127.3395	0.022	2	127.3395	0.022	2	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	123.8930	0.000	1	123.8170	0.012	2	123.9810	0.086	3	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	123.7410	0.000	1	123.8170	0.012	2	123.9810	0.086	3	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	124.3090	0.000	1	124.3090	0.000	1	123.9810	0.086	3	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	127.5613	0.297	4	127.4136	0.077	8	127.3190	0.187	27	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	127.2660	0.185	4	127.4136	0.077	8	127.3190	0.187	27	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	126.6190	0.000	1	126.8528	0.184	5	127.3190	0.187	27	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	126.7260	0.724	2	126.8528	0.184	5	127.3190	0.187	27	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	127.0965	0.090	2	126.8528	0.184	5	127.3190	0.187	27	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	127.3920	0.731	5	127.3920	0.534	5	127.3190	0.187	27	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	127.4534	0.104	9	127.4534	0.011	9	127.3190	0.187	27	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:Cl-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(Cl)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(Cl){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|Cl<1>,1|C<3>,1|O<1>}	121.9120	0.000	1	121.9120	0.000	1	121.3872	0.188	4	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:Cl-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|Cl<1>,1|C<3>,1|O<1>}	121.2123	0.313	3	121.2123	0.098	3	121.3872	0.188	4	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.3560	0.184	2	121.3560	0.034	2	120.5747	0.799	27	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	120.4740	0.961	21	120.4740	0.923	21	120.5747	0.799	27	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]S)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.4580	0.000	1	121.4580	0.000	1	120.5747	0.799	27	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(H){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	120.4643	0.097	3	120.4643	0.010	3	120.5747	0.799	27	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	123.4650	0.464	3	123.4650	0.215	3	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	124.3025	0.299	4	124.3025	0.090	4	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	124.5230	0.000	1	124.5230	0.000	1	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	125.1550	0.000	1	125.0250	0.034	2	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	124.8950	0.000	1	125.0250	0.034	2	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	124.0602	0.387	4	123.9627	0.221	13	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	123.9193	0.518	9	123.9627	0.221	13	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	124.6055	0.422	4	124.6055	0.178	4	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	124.6400	0.000	1	124.2654	0.155	11	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	124.2279	0.393	10	124.2654	0.155	11	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	123.2092	0.265	5	123.6824	0.459	33	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	123.8116	0.702	26	123.6824	0.459	33	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	123.0800	0.000	1	123.6824	0.459	33	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	123.2920	0.000	1	123.6824	0.459	33	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	125.7100	0.404	2	125.7100	0.164	2	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	124.8108	0.291	5	124.8108	0.085	5	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	126.5030	0.000	1	126.5030	0.000	1	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]Br)(N[6a]C[6a]H)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]Br)(N[6a]C[6a]H)(H){1|C<3>,1|O<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>}	122.9280	0.000	1	122.9280	0.000	1	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|O<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>}	122.3000	0.000	1	122.3000	0.000	1	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	124.0740	0.078	2	124.0740	0.006	2	124.0471	0.599	83	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(H)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	124.3305	0.234	2	124.3305	0.055	2	124.3305	0.055	2	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	123.2010	0.000	1	122.2553	1.782	28	122.6564	0.873	76	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	122.1776	0.469	15	122.2553	1.782	28	122.6564	0.873	76	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	122.2737	2.001	12	122.2553	1.782	28	122.6564	0.873	76	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	122.9690	0.000	1	122.9690	0.000	1	122.6564	0.873	76	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	122.9274	0.448	36	122.9274	0.200	36	122.6564	0.873	76	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	122.1890	0.000	1	122.1890	0.000	1	122.6564	0.873	76	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	123.2105	0.571	2	123.2105	0.326	2	122.6564	0.873	76	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	122.5905	0.544	6	122.6613	0.282	7	122.6564	0.873	76	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	123.0860	0.000	1	122.6613	0.282	7	122.6564	0.873	76	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	123.1440	0.000	1	123.1440	0.000	1	122.6564	0.873	76	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<1>}	123.8125	0.240	2	123.8125	0.057	2	123.8125	0.057	2	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>}	124.0525	0.161	4	124.0525	0.026	4	124.1518	0.069	5	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	124.5490	0.000	1	124.5490	0.000	1	124.1518	0.069	5	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a,6a]O)(C[6a]C[6a]O)(H){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	127.4910	0.000	1	127.4910	0.000	1	127.4910	0.000	1	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]Co)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]Co)(N[6a]C[6a]H)(H){1|C<3>,2|O<1>}	121.8180	0.000	1	121.8180	0.000	1	122.0040	0.406	4	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)2(H){1|C<3>,2|O<1>}	122.1980	1.034	2	122.1980	1.069	2	122.0040	0.406	4	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(H){1|C<3>,2|O<1>}	121.8020	0.000	1	121.8020	0.000	1	122.0040	0.406	4	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	127.6270	0.547	2	127.6270	0.300	2	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>}	126.7448	0.191	5	127.0093	0.286	52	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	127.0177	0.579	42	127.0093	0.286	52	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	127.2038	0.212	5	127.0093	0.286	52	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	126.6370	0.000	1	126.6291	1.055	37	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|Cl<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|Cl<1>,1|C<3>,1|O<1>}	126.8830	0.000	1	126.6291	1.055	37	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	126.0321	0.557	15	126.6291	1.055	37	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	125.7740	0.171	2	126.6291	1.055	37	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|S<2>}	126.4050	0.190	2	126.6291	1.055	37	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	127.6345	1.070	12	126.6291	1.055	37	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	126.3255	0.708	4	126.6291	1.055	37	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){3|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	130.0180	0.000	1	130.0180	0.000	1	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	128.0320	0.445	5	127.7202	0.742	6	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	126.1610	0.000	1	127.7202	0.742	6	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Fe<10>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	126.9915	0.214	2	126.9915	0.046	2	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|N<4>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	126.3000	0.000	1	126.3000	0.000	1	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	127.7424	0.560	23	127.8121	0.317	26	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	128.3467	0.144	3	127.8121	0.317	26	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	126.5156	0.522	36	126.5156	0.273	36	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|O<1>}	125.8460	0.000	1	127.0498	0.432	24	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	127.1021	0.619	23	127.0498	0.432	24	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]Cd)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]Cd)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	125.8280	0.000	1	125.8280	0.000	1	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]Co)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]Co)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	126.6993	0.846	11	126.6993	0.715	11	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]C[6a]W)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|W<6>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a]W)(O){1|C<3>,1|H<1>,1|O<1>}	126.7200	0.000	1	126.7200	0.000	1	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|O<1>,2|C<3>}	126.3699	0.724	31	126.1595	0.545	49	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|C<4>,1|O<1>}	125.5271	0.374	10	126.1595	0.545	49	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|Cl<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|Cl<1>,1|C<3>,1|O<1>}	126.4487	0.290	3	126.1595	0.545	49	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	126.3290	0.000	1	126.1595	0.545	49	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<3>,1|O<1>}	125.8508	0.995	4	126.1595	0.545	49	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]Mg)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]Mg)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	125.2910	0.000	1	125.2910	0.000	1	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]Mn)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]Mn)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	125.2800	0.000	1	125.2800	0.000	1	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	125.1933	0.381	3	125.1933	0.145	3	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]Zn)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]Zn)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	125.2830	0.000	1	125.2830	0.000	1	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	127.3845	0.122	2	127.3845	0.015	2	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	127.9302	0.328	6	127.2669	0.939	10	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	126.2690	1.116	2	127.2669	0.939	10	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|S<4>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|S<4>}	126.4600	0.000	1	127.2669	0.939	10	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	126.0900	0.000	1	127.2669	0.939	10	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|O<1>}	126.4240	0.000	1	126.4240	0.000	1	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|H<1>,1|O<1>}	125.7440	0.000	1	125.7440	0.000	1	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|O<1>}	125.2540	0.000	1	125.2540	0.000	1	126.7884	0.817	270	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:S-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|S<1>}	C[6a](N[6a]C[6a]H)2(S){1|C<3>,2|O<1>}	125.0056	0.474	20	125.0056	0.225	20	125.0056	0.225	20	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(H)	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	126.8120	0.000	1	126.8120	0.000	1	126.8120	0.000	1	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(H)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	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>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>}	125.1730	0.000	1	125.1730	0.000	1	125.1730	0.000	1	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)(H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]O)(H){1|B<4>,1|C<3>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	127.0100	0.321	2	127.0100	0.103	2	127.0100	0.103	2	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	126.0552	0.503	5	126.0552	0.253	5	126.0552	0.253	5	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	128.8520	0.000	1	128.8520	0.000	1	128.8520	0.000	1	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	127.5680	0.000	1	127.0115	0.619	2	127.0115	0.619	2	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	126.4550	0.000	1	127.0115	0.619	2	127.0115	0.619	2	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:Cl-1:	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|Cl<1>,1|C<3>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(Cl){1|N<3>,2|O<1>}	122.6470	0.000	1	122.6470	0.000	1	122.6470	0.000	1	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	122.6750	0.000	1	122.6750	0.000	1	123.0393	0.078	4	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|Cl<1>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	122.9710	0.000	1	122.9710	0.000	1	123.0393	0.078	4	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|F<1>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	123.2150	0.000	1	123.2150	0.000	1	123.0393	0.078	4	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	123.2960	0.000	1	123.2960	0.000	1	123.0393	0.078	4	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	126.4364	0.640	5	126.4364	0.409	5	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	126.8677	0.242	3	126.8677	0.059	3	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6,6]C[6a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](N[6a]C[6,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	127.0583	0.130	6	127.0583	0.017	6	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	126.7780	0.191	2	126.7780	0.036	2	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	126.5620	0.000	1	126.5620	0.000	1	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[4])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[4])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	126.8710	0.000	1	126.8710	0.000	1	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	127.3330	0.000	1	127.3330	0.000	1	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	127.6590	0.140	4	127.6590	0.020	4	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	127.3380	0.000	1	127.3380	0.000	1	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	127.2000	0.109	2	127.1430	0.443	60	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	127.1263	0.690	48	127.1430	0.443	60	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	126.8600	0.000	1	127.1430	0.443	60	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	126.3745	0.476	2	127.1430	0.443	60	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	126.9850	0.000	1	127.1430	0.443	60	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	127.3010	0.000	1	127.1430	0.443	60	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	127.4250	0.000	1	127.1430	0.443	60	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	127.2880	0.000	1	127.1430	0.443	60	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	127.8367	0.571	3	127.1430	0.443	60	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	127.4041	0.611	8	127.4925	0.325	10	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|F<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	127.8460	0.000	2	127.4925	0.325	10	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	127.0152	0.355	33	126.9748	0.200	43	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	127.1590	0.000	1	126.9748	0.200	43	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<3>,1|O<1>}	125.9597	0.359	3	126.9748	0.200	43	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	127.1653	0.340	3	126.9748	0.200	43	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	126.8720	0.000	1	126.9748	0.200	43	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	127.5050	0.092	2	126.9748	0.200	43	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|I<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	128.4285	0.634	2	128.4285	0.402	2	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	126.9730	0.000	1	126.9730	0.000	1	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	127.1640	0.000	1	127.2273	0.086	3	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	127.2590	0.407	2	127.2273	0.086	3	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]Pd)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Pd<4>,1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]Pd)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|O<2>}	126.8880	0.000	1	126.8880	0.000	1	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]Rh)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Rh<6>,1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]Rh)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	126.2585	0.006	2	126.2585	0.000	2	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]Zn)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Zn)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	125.7920	0.000	1	125.7920	0.000	1	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,1|N<2>}	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>}	125.4473	0.390	3	125.4473	0.152	3	127.0527	0.413	150	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]B[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]B[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]O)2(H){1|B<3>,1|C<4>,1|H<1>}	C[6a](N[6a]B[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[6a]B[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	126.8327	0.218	3	126.8327	0.048	3	124.8392	0.496	45	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	125.0580	0.040	2	125.0580	0.002	2	124.8392	0.496	45	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	124.9810	0.409	2	124.9810	0.167	2	124.8392	0.496	45	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]Cu)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]Cu)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]O)2(H){2|Cu<2>,1|C<3>}	C[6a](N[6a]C[6a]Cu)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]Cu)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	123.8220	0.000	1	123.8220	0.000	1	124.8392	0.496	45	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]Cu)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Cu)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	124.1585	0.015	2	124.1585	0.000	2	124.8392	0.496	45	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]Fe)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Fe)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	124.0850	0.307	2	124.0850	0.094	2	124.8392	0.496	45	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]H)2(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	124.8888	0.414	24	124.8888	0.172	24	124.8392	0.496	45	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(H)	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]N[6a]O)2(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Ni)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|N<3>,2|O<1>}	124.3943	0.251	9	124.3943	0.063	9	124.8392	0.496	45	125.6866	4.270	783	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(OC)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	118.8440	0.044	2	118.8440	0.002	2	118.8440	0.002	2	118.8440	0.002	2	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O)	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,3|N<3>}	C[6a](N[6a]C[5,6a]H)(N[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	127.2110	0.849	2	127.2110	0.720	2	127.2110	0.720	2	125.2426	1.535	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(COO)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(COO){1|O<1>,4|C<3>}	124.3110	0.000	1	124.3110	0.000	1	124.6605	0.244	2	125.2426	1.535	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(CC[6a]O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(CC[6a]O){1|O<1>,2|C<3>}	125.0100	0.000	1	125.0100	0.000	1	124.6605	0.244	2	125.2426	1.535	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]H)2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	C[6a](N[6a]C[6a]H)2(NHH){1|C<3>,2|O<1>}	124.2025	0.192	2	124.2025	0.037	2	124.2025	0.037	2	125.2426	1.535	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	125.5340	0.000	1	125.5340	0.000	1	125.0117	0.262	3	125.2426	1.535	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	124.9910	0.000	1	124.7505	0.116	2	125.0117	0.262	3	125.2426	1.535	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	124.5100	0.000	1	124.7505	0.116	2	125.0117	0.262	3	125.2426	1.535	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	126.6160	0.000	1	126.6160	0.000	1	126.6160	0.000	1	125.6727	2.067	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	126.2480	0.696	4	126.2480	0.484	4	126.2888	0.428	9	125.6727	2.067	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|O<1>}	125.1680	0.000	1	125.1680	0.000	1	126.2888	0.428	9	125.6727	2.067	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CC3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O){1|C<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CC3){1|O<1>,2|C<3>}	127.0670	0.000	1	127.0670	0.000	1	126.2888	0.428	9	125.6727	2.067	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O){1|C<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	126.3380	0.000	1	126.3380	0.000	1	126.2888	0.428	9	125.6727	2.067	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]H)(O){1|C<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	126.5170	0.013	2	126.5170	0.000	2	126.2888	0.428	9	125.6727	2.067	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	122.1170	0.000	2	122.1170	0.000	2	123.1987	3.510	3	125.6727	2.067	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CC[6a]HH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(CC[6a]HH){1|O<1>,2|C<3>}	125.3620	0.000	1	125.3620	0.000	1	123.1987	3.510	3	125.6727	2.067	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:P-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(PC[6a]2S)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(PC[6a]2S){1|O<1>,4|C<3>}	126.2510	0.290	2	126.2510	0.084	2	125.8596	0.462	5	125.6727	2.067	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:P-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(PC[6a]2Ru)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)(PC[6a]2Ru){1|O<1>,2|C<3>}	125.5987	0.791	3	125.5987	0.626	3	125.8596	0.462	5	125.6727	2.067	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OMn)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OMn){1|H<1>,1|N<2>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>}	125.6190	0.000	1	125.6190	0.000	1	125.6190	0.000	1	121.0160	42.375	2	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H){1|N<2>,2|C<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>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|N<2>,2|N<3>}	116.4130	0.000	1	116.4130	0.000	1	116.4130	0.000	1	121.0160	42.375	2	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|H<1>}	124.0543	0.296	3	124.0543	0.088	3	124.0543	0.088	3	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>}	122.3185	1.088	2	122.7763	0.675	4	122.8365	0.506	6	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>}	123.1910	0.000	1	122.7763	0.675	4	122.8365	0.506	6	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){4|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<2>,2|C<3>}	123.2770	0.000	1	122.7763	0.675	4	122.8365	0.506	6	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|N<2>}	C[6a](C[6a]N[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<2>}	122.9570	0.679	2	122.9570	0.461	2	122.8365	0.506	6	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<2>,1|O<1>}	121.7610	0.000	1	121.7610	0.000	1	121.7610	0.000	1	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)2(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>}	124.1600	0.000	1	124.1600	0.000	1	124.0400	0.161	3	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)2(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<2>}	123.9800	0.549	2	123.9800	0.301	2	124.0400	0.161	3	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(OH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	122.8120	0.000	1	122.8120	0.000	1	124.6190	1.896	9	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OC)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OC){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	122.8345	0.218	2	122.8345	0.048	2	124.6190	1.896	9	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(ONi)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(ONi){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	125.6935	0.303	2	125.6935	0.092	2	124.6190	1.896	9	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OPd)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OPd){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	125.2110	0.000	1	125.2110	0.000	1	124.6190	1.896	9	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OPt)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(OPt){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	124.9880	0.000	1	124.9880	0.000	1	124.6190	1.896	9	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(OCo)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(OCo){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	125.6270	0.000	1	125.6270	0.000	1	124.6190	1.896	9	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(OCu)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(OCu){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|O<2>}	125.8770	0.000	1	125.8770	0.000	1	124.6190	1.896	9	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:S-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(SC[6a])	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(SC[6a]){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|S<2>}	123.1350	0.597	2	123.1350	0.356	2	123.1350	0.356	2	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)(H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	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>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	122.5090	0.000	1	122.5090	0.000	1	122.5090	0.000	1	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]2)(H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|C<4>,1|N<2>,2|C<3>,2|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>}	122.0375	0.015	2	122.0375	0.000	2	122.0375	0.000	2	123.6107	1.634	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:N-2:	C[6a,6a]-3:N[6a]-3:N-2:	N[6a](C[6a]C[6a,6a]N)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NC[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NH)	N[6a](C[6a]C[6a,6a]N)2(H){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]H)(NH){1|H<1>,1|N<2>,3|C<3>}	127.1840	0.000	1	127.1840	0.000	1	127.1840	0.000	1	127.1840	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[6a]-3:N-3:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(NHH)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]H)(H){1|C<3>,2|N<3>}	123.5705	0.016	2	123.5705	0.000	2	123.5705	0.000	2	124.4295	0.988	4	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:N-3:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH){1|Br<1>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(O){1|C<3>,2|N<3>}	125.3620	0.000	1	125.2885	0.011	2	125.2885	0.011	2	124.4295	0.988	4	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	2:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-3:N-3:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(O){1|C<3>,2|N<3>}	125.2150	0.000	1	125.2885	0.011	2	125.2885	0.011	2	124.4295	0.988	4	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	125.0745	0.275	2	125.0745	0.076	2	125.0745	0.076	2	122.7980	3.152	6	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]O)(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]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|N<3>}	121.6598	0.213	4	121.6598	0.045	4	121.6598	0.045	4	122.7980	3.152	6	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]N[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]H)(O){4|C<3>}	124.7650	0.000	1	124.7650	0.000	1	124.7650	0.000	1	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(H){5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	126.3670	0.000	1	126.3670	0.000	1	126.3670	0.000	1	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|N<3>}	124.7680	0.759	2	124.7680	0.577	2	124.7680	0.577	2	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	125.0660	0.000	1	125.0660	0.000	1	125.7464	0.418	9	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	125.8000	0.000	1	125.8000	0.000	1	125.7464	0.418	9	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(N[6a]C[6a]H)(O){1|C<4>,4|C<3>}	125.1835	0.006	2	125.1835	0.000	2	125.7464	0.418	9	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	125.1320	0.000	1	125.1320	0.000	1	125.7464	0.418	9	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	125.7890	0.000	1	126.0720	0.160	2	125.7464	0.418	9	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	126.3550	0.000	1	126.0720	0.160	2	125.7464	0.418	9	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(H){1|P<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	126.6045	0.151	2	126.6045	0.023	2	125.7464	0.418	9	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|S<2>,2|C<3>}	125.4480	0.000	1	125.5600	0.025	2	124.6284	0.510	7	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	125.6720	0.000	1	125.5600	0.025	2	124.6284	0.510	7	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	124.6430	0.000	1	124.6430	0.000	1	124.6284	0.510	7	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){3|C<3>}	124.1590	0.372	4	124.1590	0.139	4	124.6284	0.510	7	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(H){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|O<1>,4|C<3>}	124.8950	0.000	1	124.8950	0.000	1	124.8950	0.000	1	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	127.0880	0.000	1	127.0880	0.000	1	124.7064	1.993	8	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	124.3610	1.194	3	124.3610	1.425	3	124.7064	1.993	8	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]H)(COO){1|C<3>,1|O<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]H)(O){4|C<3>}	123.3075	0.230	2	123.3075	0.053	2	124.7064	1.993	8	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[5a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[5a]H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	125.2760	0.000	1	125.2760	0.000	1	124.7064	1.993	8	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]H)(O){1|H<1>,2|C<3>}	125.5890	0.000	1	125.5890	0.000	1	124.7064	1.993	8	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|O<1>,2|C<3>}	122.7707	0.856	29	122.7707	0.733	29	122.7707	0.733	29	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C[5]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(C[5]N[5]2)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(C[5]N[5]2){1|N<3>,2|C<4>,3|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|O<1>,2|C<3>}	120.5260	0.000	2	120.5260	0.000	2	120.5260	0.000	2	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<3>}	125.1910	0.991	2	125.1910	0.983	2	125.1910	0.983	2	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NCH)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NCH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<3>,1|O<1>}	122.8000	0.000	1	122.8000	0.000	1	122.9035	0.021	2	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<3>,1|O<1>}	123.0070	0.000	1	123.0070	0.000	1	122.9035	0.021	2	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N[6]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(N[6]C[6]2)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(N[6]C[6]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<3>,1|O<1>}	121.6320	0.000	1	121.6320	0.000	1	121.6320	0.000	1	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(N[6a]C[6a]H){1|N<3>,2|C<3>,4|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|N<3>,1|O<1>}	122.0180	0.000	1	122.0180	0.000	1	122.0180	0.000	1	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:P-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(PC[6a]2){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|P<3>}	124.8980	0.000	1	124.8980	0.000	1	124.8980	0.000	1	123.7831	2.503	67	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](C[6a]C[6a]2)2(H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	122.6400	0.115	2	122.6400	0.013	2	122.6400	0.013	2	122.3957	0.186	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:N[6a]-3:C-3:	N[6a](C[6a]C[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO)	N[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(COO){1|O<1>,2|C<3>}	121.9070	0.000	1	121.9070	0.000	1	121.9070	0.000	1	122.3957	0.186	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<4>,2|C<3>}	123.8800	0.033	2	123.8800	0.001	2	123.6478	0.151	4	123.6478	0.151	4	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(O){1|C<3>,2|C<4>}	123.4155	0.487	2	123.4155	0.237	2	123.6478	0.151	4	123.6478	0.151	4	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(CH3)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	120.6735	0.443	2	120.6735	0.197	2	120.7575	0.294	17	120.7575	0.294	17	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	121.2763	0.228	4	121.2763	0.052	4	120.7575	0.294	17	120.7575	0.294	17	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|O<1>}	120.4691	0.406	10	120.4691	0.165	10	120.7575	0.294	17	120.7575	0.294	17	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>}	121.7340	0.000	1	121.7340	0.000	1	120.7575	0.294	17	120.7575	0.294	17	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HO){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>}	121.1140	0.000	1	121.1140	0.000	1	122.3593	2.270	3	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHO)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHO){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>}	121.9300	0.000	1	121.9300	0.000	1	122.3593	2.270	3	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(H){1|C<4>,2|C<3>}	124.0340	0.000	1	124.0340	0.000	1	122.3593	2.270	3	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	126.0940	0.123	2	126.0940	0.015	2	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	125.2565	1.068	2	125.2565	1.142	2	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CF3)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	125.3270	0.000	1	125.3270	0.000	1	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	125.6060	0.000	1	125.8725	0.142	2	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	126.1390	0.000	1	125.8725	0.142	2	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	125.5380	0.000	1	125.5380	0.000	1	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|C<4>}	123.4945	0.064	2	124.4188	0.735	5	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<4>,2|C<3>}	125.0350	0.209	3	124.4188	0.735	5	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<2>}	124.0720	0.135	4	124.0720	0.018	4	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	125.7740	0.000	1	125.7740	0.000	1	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|F<1>,1|O<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(O){1|C<4>,1|F<1>,3|C<3>}	125.5870	0.035	2	125.5870	0.001	2	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,2|C<4>}	125.4130	0.561	2	125.2643	0.224	3	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	124.9670	0.000	1	125.2643	0.224	3	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|C<4>}	125.2290	0.000	1	125.0110	0.341	24	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>}	125.0732	0.497	22	125.0110	0.341	24	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<2>}	123.4260	0.000	1	125.0110	0.341	24	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,2|C<4>}	126.1840	0.000	1	126.1840	0.000	1	125.0601	0.530	48	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CC3)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)(CC3){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O){1|C<4>,4|C<3>}	125.6800	0.000	1	125.6800	0.000	1	125.6800	0.000	1	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCCH)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCCH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|C<4>,1|O<1>}	124.1150	0.133	2	124.1150	0.018	2	123.0166	2.097	10	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CCHH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|C<4>,1|O<1>}	123.7820	0.000	1	123.7820	0.000	1	123.0166	2.097	10	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6]HH)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC[6]HH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|C<4>,1|O<1>}	122.8710	0.000	1	122.8710	0.000	1	123.0166	2.097	10	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CF3)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CF3){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|C<4>,1|O<1>}	121.3390	0.000	1	121.3390	0.000	1	123.0166	2.097	10	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|C<4>,1|O<1>}	123.1470	0.093	2	123.1470	0.009	2	123.0166	2.097	10	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHP)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHP){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|C<4>,1|O<1>}	122.9190	0.000	1	122.9190	0.000	1	123.0166	2.097	10	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CN[5]HH)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CN[5]HH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|C<4>,1|O<1>}	119.9040	0.000	1	119.9040	0.000	1	123.0166	2.097	10	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CPtHH)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CPtHH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|C<4>,1|O<1>}	124.8270	0.000	1	124.8270	0.000	1	123.0166	2.097	10	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:P-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(PC[6a]2Pt)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(PC[6a]2Pt){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|P<4>}	124.5910	0.000	2	124.5910	0.000	2	124.5910	0.000	2	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:S-4:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(SO3)	C[6a](N[6a]C[6a]H)2(O)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(SO3){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)2(O){1|C<3>,1|O<1>,1|S<4>}	123.4260	0.000	1	123.4260	0.000	1	123.4260	0.000	1	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-3:C[6]-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|C<4>}	124.0900	0.000	1	124.0900	0.000	1	124.0900	0.000	1	124.5834	1.560	66	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	122.0220	0.000	1	122.0220	0.000	1	122.2650	0.118	2	122.2650	0.118	2	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHS)	N[6a](C[6a]C[6a]C)2(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CHHS){1|C<3>,1|C<4>,1|O<1>}	122.5080	0.000	1	122.5080	0.000	1	122.2650	0.118	2	122.2650	0.118	2	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:N-2:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NC){1|C<2>,1|C<3>}	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|N<3>,1|S<2>}	122.5943	0.528	3	122.5943	0.279	3	122.5943	0.279	3	122.5943	0.279	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	123.4040	0.000	1	123.4040	0.000	1	122.3343	0.916	3	122.3343	0.916	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NS){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	121.7995	0.340	2	121.7995	0.116	2	122.3343	0.916	3	122.3343	0.916	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NC){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|O<1>}	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	121.4563	0.747	4	121.4563	0.557	4	121.4563	0.557	4	121.4563	0.557	4	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NC)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NC){1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|S<2>}	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	121.6350	0.000	1	121.6350	0.000	1	121.6350	0.000	1	121.6350	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(OH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]O)(H)	N[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	123.0600	0.000	1	123.0600	0.000	1	123.0600	0.000	1	125.9499	2.565	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|H<1>}	125.7970	0.033	2	125.7970	0.001	2	125.3600	0.573	3	125.9499	2.565	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|H<1>}	124.4860	0.000	1	124.4860	0.000	1	125.3600	0.573	3	125.9499	2.565	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]O)(O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]O)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]O)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]O)(H){1|O<1>,1|O<2>,3|C<3>}	124.7080	0.273	4	124.7080	0.075	4	124.7080	0.075	4	125.9499	2.565	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(OC)	C[6a](N[6a]C[6a]O)2(O)	C[6a](N[6a]C[6a]O)2(O)	N[6a](C[6a]N[6a]O)2(OC){1|C<3>,2|O<2>}	C[6a](N[6a]C[6a]O)2(O){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]O)2(O){1|N<3>,2|O<1>}	127.8877	0.239	3	127.8877	0.057	3	127.5545	0.193	6	125.9499	2.565	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(OH)	C[6a](N[6a]C[6a]O)2(O)	C[6a](N[6a]C[6a]O)2(O)	N[6a](C[6a]N[6a]O)2(OH){1|C<3>,2|O<2>}	C[6a](N[6a]C[6a]O)2(O){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]O)2(O){1|N<3>,2|O<1>}	127.2213	0.304	3	127.2213	0.092	3	127.5545	0.193	6	125.9499	2.565	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CHO){1|O<1>,4|C<3>}	125.7420	0.000	1	125.7420	0.000	1	125.7420	0.000	1	125.7420	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]O)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]O)(CCHH){1|O<1>,2|C<3>}	126.7890	0.000	1	126.7890	0.000	1	127.2116	0.112	5	127.2116	0.112	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(CCHH){1|O<1>,4|C<3>}	127.3250	0.000	1	127.3250	0.000	1	127.2116	0.112	5	127.2116	0.112	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a]O)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OC){1|P<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(N[6a]C[6a]O)(CH3){1|O<1>,2|C<3>}	126.9440	0.000	1	126.9440	0.000	1	127.2116	0.112	5	127.2116	0.112	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]O)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]O)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]O)(O){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]O)(CH3){1|O<1>,2|C<3>}	127.5000	0.140	2	127.5000	0.020	2	127.2116	0.112	5	127.2116	0.112	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(ORh)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]O)(ORh)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)2(ORh){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]O)(ORh){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]O)(O){1|H<1>,1|O<2>,3|C<3>}	125.8510	0.669	4	125.8510	0.447	4	125.8510	0.447	4	125.8510	0.447	4	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]O){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|H<1>,4|C<3>}	126.6413	0.555	3	126.6413	0.308	3	126.6565	0.206	4	126.0910	0.902	6	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]O)(O){1|H<1>,4|C<3>}	126.7020	0.000	1	126.7020	0.000	1	126.6565	0.206	4	126.0910	0.902	6	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(CNO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(CNO){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|H<1>,2|C<3>}	124.9600	0.229	2	124.9600	0.052	2	124.9600	0.052	2	126.0910	0.902	6	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(NS)	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N)(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]N)(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(NS){3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]N)(H){1|C<4>,1|N<2>,3|C<3>}	122.0180	0.000	1	122.0180	0.000	1	122.0180	0.000	1	125.8728	1.640	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:2:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-3:C[6]-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(O){1|C<3>,2|C<4>}	126.1693	0.666	13	126.1693	0.444	13	126.1693	0.444	13	125.8728	1.640	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	120.9200	0.000	1	121.0910	0.058	2	121.0910	0.058	2	122.2180	1.065	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	121.2620	0.000	1	121.0910	0.058	2	121.0910	0.058	2	122.2180	1.065	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:N[6]-3:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]N[6])(C[6a]C[5,6a]O)(C[6a]C[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O)	N[6a](C[6a]N[6a]N[6])(C[6a]C[5,6a]O)(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	121.4720	0.000	1	121.4720	0.000	1	121.4720	0.000	1	122.2180	1.065	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:N[6]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	122.9725	0.497	2	122.9725	0.247	2	122.2936	0.454	5	122.2180	1.065	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:N[6]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	121.8410	0.128	3	121.8410	0.017	3	122.2936	0.454	5	122.2180	1.065	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NC[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NC[6a]H){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,1|N<2>,3|C<3>}	122.7730	0.000	1	122.7730	0.000	1	122.7730	0.000	1	122.2180	1.065	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-3:N-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H){1|C<3>,1|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N)(O){2|N<2>,2|N<3>}	124.2850	0.000	1	124.2850	0.000	1	124.2850	0.000	1	122.2180	1.065	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:Se-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(SeSe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]O)(C[6a]N[6a]2){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(SeSe){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|Se<2>,1|C<4>,1|N<3>,2|N<2>}	119.0315	0.742	2	119.0315	0.550	2	119.0315	0.550	2	119.0315	0.550	2	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a,6a])(N[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	121.8500	0.000	1	121.8500	0.000	1	121.8500	0.000	1	123.5047	1.085	6	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NHS)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(NHS){1|C<2>,1|C<3>}	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|N<3>,1|S<2>}	122.5320	0.000	1	122.5320	0.000	1	122.5320	0.000	1	123.5047	1.085	6	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|N<2>,1|O<1>,6|C<3>}	C[6a](N[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O){1|H<1>,1|N<2>,5|C<3>}	124.1615	0.066	4	124.1615	0.004	4	124.1615	0.004	4	123.5047	1.085	6	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>}	122.3590	0.000	1	122.3590	0.000	1	122.3590	0.000	1	121.8623	1.630	8	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(H){1|O<1>,4|C<3>}	121.0106	0.335	5	121.0106	0.112	5	121.0106	0.112	5	121.8623	1.630	8	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Br<1>,1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(O){1|N<3>,1|O<1>,3|C<3>}	123.7430	0.109	2	123.7430	0.012	2	123.7430	0.012	2	121.8623	1.630	8	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(OC[6a]){1|N<3>,1|O<1>,3|C<3>}	121.5720	0.000	1	121.5720	0.000	1	121.5720	0.000	1	121.5246	1.245	17	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<2>,2|O<2>,4|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,1|O<2>,3|C<3>}	122.6370	0.000	1	122.1605	0.454	2	122.1715	0.333	11	121.5246	1.245	17	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|N<3>,1|O<1>,3|C<3>}	121.6840	0.000	1	122.1605	0.454	2	122.1715	0.333	11	121.5246	1.245	17	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|N<3>,1|O<1>,3|C<3>}	122.7570	0.000	1	122.4976	0.238	5	122.1715	0.333	11	121.5246	1.245	17	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,5|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	122.4327	0.538	4	122.4976	0.238	5	122.1715	0.333	11	121.5246	1.245	17	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC){1|O<1>,4|C<3>}	122.4650	0.000	1	122.4650	0.000	1	122.1715	0.333	11	121.5246	1.245	17	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	121.7880	0.000	1	121.7880	0.000	1	122.1715	0.333	11	121.5246	1.245	17	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC){1|O<1>,4|C<3>}	121.3540	0.000	1	121.3540	0.000	1	122.1715	0.333	11	121.5246	1.245	17	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,4|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	121.4700	0.000	1	121.4700	0.000	1	122.1715	0.333	11	121.5246	1.245	17	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|O<2>,2|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	120.5027	0.434	3	120.0920	0.430	5	120.0920	0.430	5	121.5246	1.245	17	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a])	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	119.4760	0.283	2	120.0920	0.430	5	120.0920	0.430	5	121.5246	1.245	17	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(NCH){1|N<3>,1|O<1>,3|C<3>}	122.2190	0.000	1	122.2190	0.000	1	122.2190	0.000	1	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,1|S<2>,3|C<3>}	122.7717	0.194	4	122.7717	0.038	4	123.0717	0.493	18	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]2){1|O<1>,1|S<2>,3|C<3>}	122.9890	0.000	1	122.9890	0.000	1	123.0717	0.493	18	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,1|S<2>,3|C<3>}	122.4820	0.000	1	122.4820	0.000	1	123.0717	0.493	18	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,1|S<2>,3|C<3>}	121.7930	0.000	1	121.7930	0.000	1	123.0717	0.493	18	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H){1|O<1>,1|S<2>,3|C<3>}	123.2410	0.000	1	123.7025	0.426	2	123.0717	0.493	18	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H){1|O<1>,1|O<2>,3|C<3>}	124.1640	0.000	1	123.7025	0.426	2	123.0717	0.493	18	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,2|N<3>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|N<3>,1|O<1>,3|C<3>}	123.5590	0.000	1	123.5590	0.000	1	123.0717	0.493	18	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){2|C<3>,2|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|N<3>,1|O<1>,3|C<3>}	124.1580	0.000	1	123.8955	0.138	2	123.0717	0.493	18	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<3>,2|N<2>,4|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	123.6330	0.000	1	123.8955	0.138	2	123.0717	0.493	18	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	123.4773	0.818	3	123.4773	0.669	3	123.0717	0.493	18	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	122.9840	0.000	1	122.9840	0.000	1	123.0717	0.493	18	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	122.0810	0.000	1	122.0810	0.000	1	123.0717	0.493	18	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]2)(O){1|N<2>,1|N<3>,4|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	122.6870	0.000	1	122.6870	0.000	1	123.0717	0.493	18	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N[5]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[5]C[5]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[5]C[5]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	122.3100	0.000	1	122.3100	0.000	1	122.0863	0.040	3	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N[5]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[5]C[5]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[5]C[5]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	121.9745	0.073	2	121.9745	0.005	2	122.0863	0.040	3	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	122.5410	0.000	1	122.5410	0.000	1	122.2727	0.054	3	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	122.1570	0.000	1	122.1385	0.001	2	122.2727	0.054	3	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	122.1200	0.000	1	122.1385	0.001	2	122.2727	0.054	3	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]2)(NCC){1|O<1>,1|O<2>,3|C<3>}	120.5010	0.000	1	120.5010	0.000	1	120.5010	0.000	1	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCC){1|O<1>,4|C<3>}	121.2600	0.000	1	121.2600	0.000	1	121.4368	0.176	5	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|N<3>,2|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NCH){1|O<1>,4|C<3>}	121.7100	0.000	1	121.7100	0.000	1	121.4368	0.176	5	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NC[6a]H){1|O<1>,4|C<3>}	121.0900	0.021	2	121.0900	0.000	2	121.4368	0.176	5	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]N){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	122.0340	0.000	1	122.0340	0.000	1	121.4368	0.176	5	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(N[6]C[6]2)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(N[6]C[6]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	121.2310	0.000	1	121.2310	0.000	1	121.2310	0.000	1	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(NC[6a]H){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O){1|S<2>,2|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	123.9540	0.000	1	123.9540	0.000	1	123.9540	0.000	1	122.5290	0.914	33	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CCHN)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|F<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CCHN){1|O<1>,4|C<3>}	122.6060	0.000	1	122.6060	0.000	1	122.6381	0.139	15	123.1472	0.493	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	122.4140	0.353	4	122.6675	0.150	13	122.6381	0.139	15	123.1472	0.493	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	122.7993	0.368	3	122.6675	0.150	13	122.6381	0.139	15	123.1472	0.493	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,1|I<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	122.6328	0.345	4	122.6675	0.150	13	122.6381	0.139	15	123.1472	0.493	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]C){2|Br<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|O<1>,4|C<3>}	123.0460	0.450	2	122.6675	0.150	13	122.6381	0.139	15	123.1472	0.493	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]N[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(CH3){1|N<2>,1|O<1>,3|C<3>}	122.2880	0.000	1	122.2880	0.000	1	122.6381	0.139	15	123.1472	0.493	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(NHH)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]N)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]N)(O){1|C<3>,1|N<2>,1|S<2>,2|C<4>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(CH3){1|C<3>,1|O<1>,1|S<2>}	124.7550	0.000	1	124.7550	0.000	1	124.7550	0.000	1	123.1472	0.493	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	123.3103	0.637	3	123.3103	0.405	3	123.5779	0.252	14	123.1472	0.493	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CC[6a]2H){1|O<1>,2|C<3>}	123.2775	0.047	2	123.2775	0.002	2	123.5779	0.252	14	123.1472	0.493	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH){1|O<1>,2|C<3>}	124.3005	0.302	2	124.3005	0.091	2	123.5779	0.252	14	123.1472	0.493	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NCH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHO){1|O<1>,2|C<3>}	124.1880	0.000	1	124.1880	0.000	1	123.5779	0.252	14	123.1472	0.493	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NC[6a]C){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	123.6143	0.328	3	123.6143	0.107	3	123.5779	0.252	14	123.1472	0.493	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CCHH){1|O<1>,2|C<3>}	123.4255	0.291	2	123.4255	0.084	2	123.5779	0.252	14	123.1472	0.493	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CHHN)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(NHH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]N)(CHHN){1|O<1>,2|C<3>}	123.1220	0.000	1	123.1220	0.000	1	123.5779	0.252	14	123.1472	0.493	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O)	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	121.5085	0.193	2	121.4963	0.015	4	121.4963	0.015	4	121.7682	1.699	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O)	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){1|H<1>,1|I<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	121.5460	0.000	1	121.4963	0.015	4	121.4963	0.015	4	121.7682	1.699	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O)	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H)	N[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a]C[6a])(O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5a]C[6a])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	121.4220	0.000	1	121.4963	0.015	4	121.4963	0.015	4	121.7682	1.699	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C[5]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.1410	0.713	2	120.1410	0.508	2	120.1410	0.508	2	121.7682	1.699	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:O[6a]-2:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a]2)(O[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]O[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|O<1>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a]2)(O[6a]C[6a])(O){1|O<1>,4|C<3>}	124.5690	0.000	1	124.5690	0.000	1	124.5690	0.000	1	121.7682	1.699	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|O<1>}	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	122.8240	0.000	1	122.8240	0.000	1	122.2820	0.254	3	121.7682	1.699	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H)	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|O<1>}	C[6a](N[6a]C[6a]N)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	122.0110	0.259	2	122.0110	0.067	2	122.2820	0.254	3	121.7682	1.699	10	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(NHH){1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|N<2>,1|S<2>}	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	121.7022	0.650	4	121.7022	0.422	4	121.7022	0.422	4	121.7022	0.422	4	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:2:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(NHH)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]N)(O)	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(NHH){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]N)(O){1|C<4>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a]N)(N[6a]N[6a])(CH3){1|C<3>,1|O<1>}	122.5940	0.000	1	122.5940	0.000	1	122.5940	0.000	1	122.7679	0.998	8	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:2:4:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3,6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CF3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3,6]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CF3){1|O<1>,2|C<3>,2|C<4>}	122.0990	0.000	1	122.0990	0.000	1	122.1954	0.178	5	122.7679	0.998	8	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:2:4:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCCH){1|O<1>,2|C<3>,2|C<4>}	122.8600	0.000	1	122.8600	0.000	1	122.1954	0.178	5	122.7679	0.998	8	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:2:4:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH){1|O<1>,2|C<3>,2|C<4>}	121.6940	0.000	1	121.9005	0.085	2	122.1954	0.178	5	122.7679	0.998	8	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:2:4:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH){1|O<1>,2|C<3>,2|C<4>}	122.1070	0.000	1	121.9005	0.085	2	122.1954	0.178	5	122.7679	0.998	8	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:2:4:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHO){1|O<1>,2|C<3>,2|C<4>}	122.2170	0.000	1	122.2170	0.000	1	122.1954	0.178	5	122.7679	0.998	8	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:2:4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6])(O)	C[6a](N[6a]C[6a]N[6])(N[6a]C[6a,6a])(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[6]C[6]2){1|C<4>,1|N<2>,1|S<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](N[6a]C[6a]N[6])(N[6a]C[6a,6a])(CH3){1|O<1>,4|C<3>}	124.2860	0.000	2	124.2860	0.000	2	124.2860	0.000	2	122.7679	0.998	8	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(O)	N[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cd<6>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|H<1>}	122.5120	0.000	1	122.5120	0.000	1	122.5120	0.000	1	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6,6a]-3:N[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]B[5])(H)	C[6a](N[6a]C[6a]B[5])(C[6a]C[6,6a]H)(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]B[5])(H){2|H<1>,2|O<2>,3|C<3>}	C[6a](N[6a]C[6a]B[5])(C[6a]C[6,6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	116.6360	0.000	1	116.6360	0.000	1	116.6360	0.000	1	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CHH){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	126.0870	0.000	1	126.0870	0.000	1	126.0870	0.000	1	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(COO)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(COO){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	126.9860	0.000	1	126.9860	0.000	1	126.9860	0.000	1	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(CN[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CN[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	119.5180	0.031	2	119.5180	0.001	2	119.5180	0.001	2	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	123.1790	0.000	1	123.1790	0.000	1	121.7237	2.141	7	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	122.6660	0.000	1	122.6660	0.000	1	121.7237	2.141	7	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	123.8500	0.000	1	123.8500	0.000	1	121.7237	2.141	7	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	120.5927	0.259	4	120.5927	0.067	4	121.7237	2.141	7	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]O){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	125.7930	0.000	1	125.7930	0.000	1	126.3772	0.189	5	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	126.2730	0.000	1	126.2730	0.000	1	126.3772	0.189	5	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	126.7135	0.419	2	126.7135	0.176	2	126.3772	0.189	5	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	126.3930	0.000	1	126.3930	0.000	1	126.3772	0.189	5	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.0565	0.369	4	121.0565	0.137	4	120.8084	0.171	7	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCO){1|C<3>,1|F<1>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.4777	0.141	3	120.4777	0.020	3	120.8084	0.171	7	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	125.9110	0.000	1	125.9110	0.000	1	125.9013	0.939	7	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	125.9580	0.000	1	125.9580	0.000	1	125.9013	0.939	7	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	126.5990	0.000	1	126.5990	0.000	1	125.9013	0.939	7	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	126.2670	0.799	3	126.2670	0.639	3	125.9013	0.939	7	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]C)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<2>}	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>}	124.0400	0.000	1	124.0400	0.000	1	125.9013	0.939	7	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(CCH)	C[6a](N[6a]C[6a]C)2(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CCH){3|C<3>}	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	125.1473	1.337	3	125.1473	1.788	3	125.1473	1.788	3	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	125.9082	0.203	12	125.8776	0.065	17	125.8776	0.065	17	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	125.8040	0.369	5	125.8776	0.065	17	125.8776	0.065	17	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|P<4>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	118.3925	0.234	2	119.0080	0.639	4	119.0080	0.639	4	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|P<5>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	119.6235	0.589	2	119.0080	0.639	4	119.0080	0.639	4	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	124.5570	0.000	1	125.2717	0.467	33	125.3182	0.497	35	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	125.5800	0.584	4	125.2717	0.467	33	125.3182	0.497	35	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	125.3202	0.164	6	125.2717	0.467	33	125.3182	0.497	35	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	124.4265	0.367	2	125.2717	0.467	33	125.3182	0.497	35	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	125.9290	0.382	5	125.2717	0.467	33	125.3182	0.497	35	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|O<1>,1|P<4>,5|C<3>}	125.6940	0.000	1	125.2717	0.467	33	125.3182	0.497	35	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	126.2690	0.000	1	125.2717	0.467	33	125.3182	0.497	35	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|O<1>,5|C<3>}	124.9774	0.723	13	125.2717	0.467	33	125.3182	0.497	35	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2{1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	125.4970	0.000	1	126.0855	0.693	2	125.3182	0.497	35	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	126.6740	0.000	1	126.0855	0.693	2	125.3182	0.497	35	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]2)(O){1|N<2>,1|O<1>,3|C<3>}	125.3040	0.000	1	125.3040	0.000	1	125.5050	0.081	2	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O){1|O<1>,4|C<3>}	125.7060	0.000	1	125.7060	0.000	1	125.5050	0.081	2	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:S-1:	C[6a,6a]-3:N[6a]-3:S-1:	N[6a](C[6a]C[6a,6a]S)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(S)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(S)	N[6a](C[6a]C[6a,6a]S)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(S){1|H<1>,1|S<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]2)(S){1|H<1>,1|S<1>,5|C<3>}	125.5060	0.000	1	125.5060	0.000	1	125.5060	0.000	1	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2{1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	118.7320	0.000	1	118.8630	0.682	5	118.9788	0.626	6	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2{2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	119.8780	0.000	1	118.8630	0.682	5	118.9788	0.626	6	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	118.5683	0.843	3	118.8630	0.682	5	118.9788	0.626	6	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.5580	0.000	1	119.5580	0.000	1	118.9788	0.626	6	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	121.9440	0.000	1	121.9440	0.000	1	122.6953	0.184	21	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	122.8610	0.000	1	122.6823	0.112	15	122.6953	0.184	21	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	122.7164	0.339	12	122.6823	0.112	15	122.6953	0.184	21	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	122.5950	0.000	1	122.6823	0.112	15	122.6953	0.184	21	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	122.1810	0.000	1	122.6823	0.112	15	122.6953	0.184	21	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(O){2|H<1>,3|C<3>}	122.9630	0.000	1	122.9630	0.000	1	122.6953	0.184	21	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	123.3740	0.000	1	123.3740	0.000	1	122.6953	0.184	21	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	122.3030	0.000	1	122.3030	0.000	1	122.6953	0.184	21	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	122.2640	0.000	1	122.2640	0.000	1	122.6953	0.184	21	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	123.5200	0.000	1	123.5200	0.000	1	122.6953	0.184	21	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]O){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]2)(H){1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	120.6520	0.000	1	120.6520	0.000	1	120.6520	0.000	1	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a]2)2(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](N[6a]C[6a]2)2(H){2|O<1>,5|C<3>}	122.2117	0.434	8	122.2117	0.188	8	122.1323	0.145	12	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a]2)2(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]H){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a]2)2(H){2|O<1>,5|C<3>}	121.9735	0.205	4	121.9735	0.042	4	122.1323	0.145	12	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|N<3>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|O<1>,4|C<3>}	123.5900	0.000	1	123.5900	0.000	1	124.4745	1.565	2	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]N[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]C)(O){1|C<4>,1|O<1>,3|C<3>}	125.3590	0.000	1	125.3590	0.000	1	124.4745	1.565	2	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{3|C<3>,4|H<1>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]H)(O){1|N<3>,2|C<3>,2|O<1>}	122.9730	0.000	1	122.9730	0.000	1	124.6053	0.302	24	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2	C[6a](N[6a]C[6a]2)2(O)	C[6a](N[6a]C[6a]2)2(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)2{2|H<1>,5|C<3>}	C[6a](N[6a]C[6a]2)2(O){1|N<3>,2|O<1>,4|C<3>}	C[6a](N[6a]C[6a]2)2(O){1|N<3>,2|O<1>,4|C<3>}	124.6763	0.435	23	124.6763	0.189	23	124.6053	0.302	24	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(NCH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]N)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)2(NCH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,1|O<1>,3|C<3>}	126.5080	0.580	2	126.5080	0.336	2	126.5080	0.336	2	123.8607	5.105	162	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-2:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CC)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CC){1|O<1>,4|C<3>}	122.9140	0.000	1	122.9140	0.000	1	122.9140	0.000	1	122.9140	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(NHH)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(O){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	123.6630	0.000	1	123.6630	0.000	1	123.6630	0.000	1	123.6410	0.032	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]2)(NHH)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	123.4520	0.000	1	123.4520	0.000	1	123.4520	0.000	1	123.6410	0.032	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CC[6a]O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CC[6a]O){1|O<1>,2|C<3>}	123.8080	0.000	1	123.8080	0.000	1	123.8080	0.000	1	123.6410	0.032	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(CHHP)	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(CHHP){1|N<3>,1|O<1>,3|C<3>}	122.8720	0.000	1	122.8720	0.000	1	122.8720	0.000	1	124.0367	0.426	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O){1|C<4>,1|N<3>,5|C<3>}	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)(CH3){1|N<3>,1|O<1>,3|C<3>}	124.3620	0.000	1	124.3620	0.000	1	124.4730	0.025	2	124.0367	0.426	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]2)(O){1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]2)(CH3){1|N<3>,1|O<1>,3|C<3>}	124.5840	0.000	1	124.5840	0.000	1	124.4730	0.025	2	124.0367	0.426	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CCHH)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)(CCHH){1|O<1>,4|C<3>}	123.9620	0.000	1	123.9620	0.000	1	123.4780	0.469	2	124.0367	0.426	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]2)(CCHH)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]2)(CCHH){1|O<1>,4|C<3>}	122.9940	0.000	1	122.9940	0.000	1	123.4780	0.469	2	124.0367	0.426	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:Si-4:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]Si)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]2)(SiC3)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]Si){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|Si<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]2)(SiC3){1|O<1>,4|C<3>}	124.4260	0.000	1	124.4260	0.000	1	124.4260	0.000	1	124.0367	0.426	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CHHP)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CHHP){1|O<1>,2|C<3>}	124.4130	0.000	1	124.4130	0.000	1	124.3767	0.027	3	124.0367	0.426	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	C[6a](C[6a]C[6a,6a]Cl)(N[6a]C[6a]N)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH){1|Cl<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	124.5200	0.000	1	124.5200	0.000	1	124.3767	0.027	3	124.0367	0.426	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CH3){1|O<1>,2|C<3>}	124.1970	0.000	1	124.1970	0.000	1	124.3767	0.027	3	124.0367	0.426	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:S-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(SC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(C[6a]C[6a]S){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(SC[6a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	123.3870	0.000	1	123.3870	0.000	1	123.3870	0.000	1	122.2885	2.413	2	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]N)(N[6a]N[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(NHH){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]N)(N[6a]N[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|N<2>}	121.1900	0.000	1	121.1900	0.000	1	121.1900	0.000	1	122.2885	2.413	2	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(C[6a]N[6a]O){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH){1|N<2>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){1|N<3>,4|C<3>}	122.1300	0.000	1	122.1300	0.000	1	122.1300	0.000	1	122.1300	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:N-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(O)	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]N)(C[6a]C[6a]O){2|C<2>,3|C<3>}	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(NHH){1|N<2>,1|O<1>,1|S<2>,2|C<3>}	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	120.5510	0.156	4	120.5510	0.024	4	120.5510	0.024	4	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O){1|H<1>,1|N<3>,5|C<3>}	123.3310	0.243	2	123.3310	0.059	2	123.3310	0.059	2	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(N[6a]C[6a]2){1|C<2>,1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(O){5|C<3>}	122.3200	0.000	1	122.3200	0.000	1	122.3200	0.000	1	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(NCH)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(NCH){1|N<3>,2|O<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]2)(O){1|N<3>,4|C<3>}	125.3550	0.000	1	125.3550	0.000	1	125.3550	0.000	1	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO)	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]2)(O){7|C<3>}	125.0215	0.920	2	125.0215	0.846	2	125.0215	0.846	2	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(CHH)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]O){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(CHH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]2)(O){5|C<3>}	124.9710	0.000	1	124.9710	0.000	1	124.9710	0.000	1	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)2{1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|C<4>,6|C<3>}	124.3040	0.071	2	124.3040	0.005	2	124.3040	0.005	2	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|O<2>,2|H<1>,5|C<3>}	122.8725	0.035	2	122.8725	0.001	2	122.7283	0.214	6	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|O<2>,2|H<1>,5|C<3>}	122.8603	0.504	3	122.6562	0.336	4	122.7283	0.214	6	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|O<2>,2|H<1>,5|C<3>}	122.0440	0.000	1	122.6562	0.336	4	122.7283	0.214	6	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	123.7040	0.000	1	123.7040	0.000	1	123.1683	0.105	8	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	123.1400	0.006	2	123.1400	0.000	2	123.1683	0.105	8	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	123.5950	0.000	1	123.5950	0.000	1	123.1683	0.105	8	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	123.1250	0.000	1	123.1250	0.000	1	123.1683	0.105	8	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	122.8400	0.088	2	122.8400	0.008	2	123.1683	0.105	8	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|H<1>,6|C<3>}	122.9620	0.000	1	122.9620	0.000	1	123.1683	0.105	8	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)2(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)2(C[6a]C[6a]O){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){5|C<3>}	122.0590	0.000	1	122.0590	0.000	1	122.9267	0.583	3	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,3|C<3>}	123.3605	0.192	2	123.3605	0.037	2	122.9267	0.583	3	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)2{3|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O){7|C<3>}	122.8620	0.000	1	122.8620	0.000	1	122.8620	0.000	1	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(COO){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|H<1>,4|C<3>}	123.6700	0.000	1	123.6700	0.000	1	123.6730	0.044	3	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCC){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,3|C<3>}	123.4650	0.000	1	123.4650	0.000	1	123.6730	0.044	3	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCH){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,3|C<3>}	123.8840	0.000	1	123.8840	0.000	1	123.6730	0.044	3	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|N<3>,1|S<2>,3|C<3>}	123.4850	0.000	1	123.4850	0.000	1	124.0815	0.712	2	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]S)(N[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a]2)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|H<1>,1|N<3>,3|C<3>}	124.6780	0.000	1	124.6780	0.000	1	124.0815	0.712	2	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]N)(O){3|C<3>}	125.2580	0.000	1	125.2580	0.000	1	125.2580	0.000	1	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N)(O){1|N<3>,1|S<2>,3|C<3>}	124.1070	0.000	1	124.1070	0.000	1	124.1070	0.000	1	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,4|C<3>}	124.2560	0.000	1	124.2560	0.000	1	124.0090	0.122	2	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(NC[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N)(O){1|H<1>,4|C<3>}	123.7620	0.000	1	123.7620	0.000	1	124.0090	0.122	2	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NHS){1|C<2>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]N)(NHH){1|C<3>,1|N<2>,1|O<1>,2|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|N<3>,1|S<2>}	125.6300	0.000	1	125.6300	0.000	1	125.6300	0.000	1	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2)	C[6a](N[6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[5a])(O)	N[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[6a](N[6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[5a])(O){1|H<1>,6|C<3>}	125.3565	0.059	2	125.3565	0.003	2	125.3565	0.003	2	123.4053	1.769	43	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)2{3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	118.2630	0.113	2	118.2630	0.013	2	118.2630	0.013	2	118.2630	0.013	2	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(C[6a]N[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){2|C<4>,3|C<3>}	121.7210	0.000	1	121.7210	0.000	1	121.6270	0.154	4	121.6270	0.154	4	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]N[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a])(O){2|C<4>,3|C<3>}	121.5957	0.474	3	121.5957	0.225	3	121.6270	0.154	4	121.6270	0.154	4	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]O)(CH3)	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]H)(H)	N[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|S<2>}	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>}	120.6640	0.000	1	120.6640	0.000	1	120.6640	0.000	1	121.7282	2.797	22	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(O){2|C<4>,3|C<3>}	123.9705	0.182	2	123.9705	0.033	2	123.9705	0.033	2	121.7282	2.797	22	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	B[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3)	C[6a](B[6a]C[6a]2)(N[6a]C[6a]2)(H)	N[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(C[6a]C[6a]C){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[6a](B[6a]C[6a]2)(N[6a]C[6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	122.1530	0.031	2	122.1530	0.001	2	122.1530	0.001	2	121.7282	2.797	22	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CCHH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>}	120.2920	0.000	1	120.2920	0.000	1	120.4335	0.130	11	121.7282	2.797	22	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CCHH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>}	119.9860	0.000	1	119.9860	0.000	1	120.4335	0.130	11	121.7282	2.797	22	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>}	120.4989	0.361	9	120.4989	0.130	9	120.4335	0.130	11	121.7282	2.797	22	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){2|C<4>,3|C<3>}	122.9780	0.000	1	122.9780	0.000	1	123.0263	0.354	3	121.7282	2.797	22	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(O){1|C<4>,1|N<2>,3|C<3>}	122.4570	0.000	1	122.4570	0.000	1	123.0263	0.354	3	121.7282	2.797	22	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCCH){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	123.6440	0.000	1	123.6440	0.000	1	123.0263	0.354	3	121.7282	2.797	22	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|C<4>,1|H<1>}	124.6700	0.000	1	124.6700	0.000	1	124.9885	0.203	2	121.7282	2.797	22	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHS){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]N)(O){1|C<3>,1|C<4>,1|H<1>}	125.3070	0.000	1	125.3070	0.000	1	124.9885	0.203	2	121.7282	2.797	22	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[6]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]O)(CCHH)	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](N[6a]C[6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,3|C<4>}	121.2860	0.000	1	121.2860	0.000	1	121.2860	0.000	1	121.7282	2.797	22	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	N[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|Cl<1>,1|C<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	121.5730	0.000	1	121.5730	0.000	1	121.5730	0.000	1	121.4845	0.016	2	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)2{1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CH3){1|C<4>,1|O<1>,3|C<3>}	121.3960	0.000	1	121.3960	0.000	1	121.3960	0.000	1	121.4845	0.016	2	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:3:	4:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-2:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(N[6a]C[6a,6a])(N[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	121.8930	0.000	1	121.8930	0.000	1	121.8930	0.000	1	121.8930	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	121.4413	0.319	3	121.4413	0.102	3	121.4459	0.139	10	121.3528	0.385	12	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|N<2>,3|C<3>}	121.7760	0.000	1	121.4479	0.175	7	121.4459	0.139	10	121.3528	0.385	12	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	121.3716	0.477	5	121.4479	0.175	7	121.4459	0.139	10	121.3528	0.385	12	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-2:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,2|C<3>,2|N<2>}	121.5010	0.000	1	121.4479	0.175	7	121.4459	0.139	10	121.3528	0.385	12	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-2:N[5a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH)	C[6a](N[6a]C[5a,6a])(N[5a]C[5a]2)(N[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH){1|S<2>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[5a]C[5a]2)(N[6a]C[6a]C){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,2|C<3>}	119.7780	0.000	1	119.7780	0.000	1	119.7780	0.000	1	121.3528	0.385	12	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-2:N[6a]-3:N[6]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH){1|C<3>,1|O<2>,2|C<4>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,2|C<3>}	121.9970	0.000	1	121.9970	0.000	1	121.9970	0.000	1	121.3528	0.385	12	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|O<1>,2|N<2>}	120.4270	0.000	1	120.4270	0.000	1	120.4270	0.000	1	122.6280	1.564	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(CC[6a]HH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|O<1>,2|N<3>}	C[6a](N[6a]C[6a]C)2(O){1|N<2>,1|N<3>,1|O<1>}	123.1370	0.000	1	123.1370	0.000	1	123.0567	0.011	3	122.6280	1.564	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|O<1>,2|N<3>}	C[6a](N[6a]C[6a]C)2(O){1|N<2>,1|N<3>,1|O<1>}	123.0165	0.111	2	123.0165	0.012	2	123.0567	0.011	3	122.6280	1.564	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:O[6a]-2:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3)	C[6a](N[6a]C[6a]C)(O[6a]C[6a])(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C)(O[6a]C[6a])(O){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|O<2>,2|O<1>}	123.5430	0.000	1	123.5430	0.000	1	123.5430	0.000	1	122.6280	1.564	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:O-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[6a]O)2(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|N<2>,2|O<2>}	118.5583	0.249	4	118.5583	0.062	4	118.5583	0.062	4	118.5583	0.062	4	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:N-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<3>,2|N<2>}	120.5110	0.000	1	120.5110	0.000	1	120.5110	0.000	1	120.0527	0.172	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|O<2>,2|N<2>}	119.7040	0.000	1	119.7040	0.000	1	119.7040	0.000	1	120.0527	0.172	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:S-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|S<2>,2|N<2>}	119.9430	0.000	1	119.9430	0.000	1	119.9430	0.000	1	120.0527	0.172	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH){1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	122.1350	0.013	2	122.1350	0.000	2	122.1350	0.000	2	120.8468	0.401	25	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3){4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	121.2650	0.139	2	121.2650	0.019	2	121.2650	0.019	2	120.8468	0.401	25	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	120.1790	0.000	1	120.1790	0.000	1	120.7982	0.161	16	120.8468	0.401	25	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	120.8259	0.389	14	120.8259	0.152	14	120.7982	0.161	16	120.8468	0.401	25	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	121.0310	0.000	1	121.0310	0.000	1	120.7982	0.161	16	120.8468	0.401	25	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|N<2>,1|N<3>,1|O<1>}	119.8390	0.000	1	119.8390	0.000	1	119.8193	0.045	3	120.8468	0.401	25	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|N<2>,1|N<3>,1|O<1>}	120.0220	0.000	1	120.0220	0.000	1	119.8193	0.045	3	120.8468	0.401	25	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|N<2>,1|N<3>,1|O<1>}	119.5970	0.000	1	119.5970	0.000	1	119.8193	0.045	3	120.8468	0.401	25	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	121.3040	0.000	1	121.3040	0.000	1	121.3040	0.000	1	120.8468	0.401	25	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	120.8360	0.000	1	120.8360	0.000	1	120.8360	0.000	1	120.8468	0.401	25	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CHHN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH){1|C<2>,1|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|O<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<4>,1|N<2>,1|S<2>}	120.2340	0.000	1	120.2340	0.000	1	121.0515	1.337	2	121.0515	1.337	2	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH){1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<2>,2|C<4>}	121.8690	0.000	1	121.8690	0.000	1	121.0515	1.337	2	121.0515	1.337	2	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<1>}	123.2320	0.250	2	123.2320	0.063	2	123.0422	0.114	4	122.5103	1.525	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<1>}	123.1120	0.000	1	123.1120	0.000	1	123.0422	0.114	4	122.5103	1.525	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|O<1>,1|S<2>}	122.5930	0.000	1	122.5930	0.000	1	123.0422	0.114	4	122.5103	1.525	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	125.8260	0.000	1	125.8260	0.000	1	125.8260	0.000	1	122.5103	1.525	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	120.8010	0.000	2	121.3744	0.330	5	121.6126	0.230	14	122.5103	1.525	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	121.7567	0.336	3	121.3744	0.330	5	121.6126	0.230	14	122.5103	1.525	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	121.8030	0.000	1	121.8030	0.000	1	121.6126	0.230	14	122.5103	1.525	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	121.6920	0.301	2	121.6920	0.091	2	121.6126	0.230	14	122.5103	1.525	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	121.1820	0.000	1	121.1820	0.000	1	121.6126	0.230	14	122.5103	1.525	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	122.1755	0.433	2	122.1755	0.188	2	121.6126	0.230	14	122.5103	1.525	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	121.6617	0.337	3	121.6617	0.113	3	121.6126	0.230	14	122.5103	1.525	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	123.6043	0.354	3	123.6043	0.125	3	123.8435	0.121	6	122.5103	1.525	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	124.1620	0.000	1	124.1620	0.000	1	123.8435	0.121	6	122.5103	1.525	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	124.0430	0.035	2	124.0430	0.001	2	123.8435	0.121	6	122.5103	1.525	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:S-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(SC[6a]OO)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(SC[6a]OO){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(H){1|C<3>,1|O<1>,1|S<2>}	122.8660	0.000	1	122.8660	0.000	1	122.8660	0.000	1	122.5103	1.525	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:1:	C[6a]-3:C[6a]-3:S-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]S)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]S)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(SC[6a]OO){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]S)(O){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]S)(H){1|O<1>,2|C<3>}	121.2800	0.000	1	121.2800	0.000	1	121.2800	0.000	1	122.5103	1.525	27	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|O<1>,1|S<2>}	120.8270	0.000	1	120.8270	0.000	1	121.0895	0.557	11	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|C<3>,1|O<1>,1|S<2>}	119.8995	0.006	2	119.8995	0.000	2	121.0895	0.557	11	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	121.6790	0.000	1	121.6790	0.000	1	121.0895	0.557	11	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|C<3>,1|N<3>,1|O<1>}	120.9427	0.512	3	120.9427	0.262	3	121.0895	0.557	11	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|O<1>,2|C<3>}	121.3620	0.000	1	121.3620	0.000	1	121.0895	0.557	11	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	121.9260	0.000	1	121.9260	0.000	1	121.0895	0.557	11	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|O<1>,2|C<3>}	121.7900	0.000	1	121.7900	0.000	1	121.0895	0.557	11	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	121.7730	0.000	1	121.7730	0.000	1	121.0895	0.557	11	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	122.3213	0.155	3	122.3213	0.024	3	122.6248	0.123	13	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	122.4045	0.332	2	122.4045	0.110	2	122.6248	0.123	13	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	122.6007	0.230	3	122.7938	0.103	8	122.6248	0.123	13	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	122.9605	0.358	4	122.7938	0.103	8	122.6248	0.123	13	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	122.7060	0.000	1	122.7938	0.103	8	122.6248	0.123	13	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	120.7175	0.107	2	120.7175	0.011	2	120.7175	0.011	2	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	120.7960	0.000	1	120.7960	0.000	1	120.7960	0.000	1	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,3|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC){1|C<3>,1|N<2>,1|O<1>}	122.6370	0.000	1	122.6370	0.000	1	122.6370	0.000	1	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(SC){1|O<1>,2|C<3>}	121.1040	0.000	1	121.1040	0.000	1	121.1040	0.000	1	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:2:	C[6a]-3:C[6a]-3:S-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(SC[6a]OO)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(SC[6a]OO){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|N<2>,2|S<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]S)(SC){1|C<3>,1|O<1>,1|S<2>}	121.2910	0.000	1	121.2910	0.000	1	121.2910	0.000	1	121.7790	0.905	30	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(NCH){1|C<3>,1|O<1>,1|S<2>}	122.2700	0.000	1	122.2700	0.000	1	122.2700	0.000	1	121.1924	0.749	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2){1|C<3>,1|O<1>,1|S<2>,2|C<4>,4|H<1>}	122.2730	0.000	1	122.2730	0.000	1	122.2730	0.000	1	121.1924	0.749	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,2|C<3>,2|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCC){1|C<3>,1|N<2>,1|O<1>}	122.9820	0.000	1	122.9820	0.000	1	121.7053	1.408	3	121.1924	0.749	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(COO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(COO){1|O<1>,2|C<3>}	120.6360	0.000	1	120.6360	0.000	1	121.7053	1.408	3	121.1924	0.749	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CC[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CC[6a]C){1|O<1>,2|C<3>}	121.4980	0.000	1	121.4980	0.000	1	121.7053	1.408	3	121.1924	0.749	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	119.9920	0.256	2	119.9920	0.066	2	120.7817	0.286	9	121.1924	0.749	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	120.8444	0.177	5	120.8444	0.031	5	120.7817	0.286	9	121.1924	0.749	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	121.2900	0.000	1	121.2900	0.000	1	120.7817	0.286	9	121.1924	0.749	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,2|N<2>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|C<3>,1|N<2>,1|O<1>}	121.5390	0.000	1	121.5390	0.000	1	120.7817	0.286	9	121.1924	0.749	14	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH){1|C<3>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|C<4>,1|N<2>,2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	123.0130	0.000	1	123.0130	0.000	1	123.0130	0.000	1	121.7638	0.558	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(CH3)	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(CCCN)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,2|C<4>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(CCCN){1|O<1>,2|C<3>}	121.5470	0.000	1	121.5470	0.000	1	121.5470	0.000	1	121.7638	0.558	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHN)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHN){1|O<1>,2|C<3>}	121.1230	0.000	1	121.1230	0.000	1	121.4197	0.134	3	121.7638	0.558	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHH){1|O<1>,2|C<3>}	121.3080	0.000	1	121.3080	0.000	1	121.4197	0.134	3	121.7638	0.558	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	2:3:4:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	121.8280	0.000	1	121.8280	0.000	1	121.4197	0.134	3	121.7638	0.558	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<2>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>}	121.6770	0.330	2	121.4100	0.268	3	120.3588	0.395	33	120.6466	1.221	37	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	120.8760	0.000	1	121.4100	0.268	3	120.3588	0.395	33	120.6466	1.221	37	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	120.2423	0.140	3	120.2423	0.020	3	120.3588	0.395	33	120.6466	1.221	37	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,2|H<1>}	121.4630	0.000	1	120.3651	0.261	10	120.3588	0.395	33	120.6466	1.221	37	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	120.2431	0.355	9	120.3651	0.261	10	120.3588	0.395	33	120.6466	1.221	37	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	120.0070	0.000	1	120.0070	0.000	1	120.3588	0.395	33	120.6466	1.221	37	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	120.3230	0.000	1	120.3230	0.000	1	120.3588	0.395	33	120.6466	1.221	37	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	120.3240	0.000	1	120.3240	0.000	1	120.3588	0.395	33	120.6466	1.221	37	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	120.1211	0.650	13	120.1211	0.422	13	120.3588	0.395	33	120.6466	1.221	37	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	121.0060	0.000	1	121.0060	0.000	1	120.3588	0.395	33	120.6466	1.221	37	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:O[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(O[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<4>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C)(O[6a]C[6a])(O){1|C<3>,1|C<4>,1|O<1>}	124.2470	0.110	2	124.2470	0.012	2	124.2470	0.012	2	120.6466	1.221	37	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(C[6]C[6]2H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	121.7945	0.112	2	121.7945	0.013	2	121.7945	0.013	2	120.6466	1.221	37	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>,1|O<1>}	119.6240	0.000	1	119.6240	0.000	1	119.6875	0.008	2	120.2920	0.230	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>,1|O<1>}	119.7510	0.000	1	119.7510	0.000	1	119.6875	0.008	2	120.2920	0.230	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	120.3510	0.000	1	120.3510	0.000	1	120.4647	0.149	7	120.2920	0.230	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	120.5050	0.137	2	120.5050	0.019	2	120.4647	0.149	7	120.2920	0.230	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	120.0370	0.000	1	120.3195	0.160	2	120.4647	0.149	7	120.2920	0.230	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	120.6020	0.000	1	120.3195	0.160	2	120.4647	0.149	7	120.2920	0.230	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	120.0760	0.000	1	120.0760	0.000	1	120.4647	0.149	7	120.2920	0.230	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|S<2>}	C[6a](N[6a]C[6a]C)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	121.1770	0.000	1	121.1770	0.000	1	120.4647	0.149	7	120.2920	0.230	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN){1|O<1>,2|C<3>}	120.9725	0.472	4	120.9725	0.223	4	121.5524	0.651	7	121.5011	0.503	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3){1|O<1>,2|C<3>}	122.3257	0.220	3	122.3257	0.048	3	121.5524	0.651	7	121.5011	0.503	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:2:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(C[5]C[5]2H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	121.3215	0.199	2	121.3215	0.039	2	121.3215	0.039	2	121.5011	0.503	9	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	B[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]B[6a]H)(C[6a]C[6a]H)(CH3)	C[6a](B[6a]C[6a]N)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]B[6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](B[6a]C[6a]N)(N[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|B<3>,2|H<1>}	123.1930	0.000	1	123.1930	0.000	1	123.1930	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(H)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	122.9330	0.000	1	122.9330	0.000	1	122.9330	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	122.5650	0.000	1	122.5650	0.000	1	122.5650	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	125.8480	0.000	2	125.8480	0.000	2	126.8515	1.366	42	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	125.8260	0.000	1	126.9127	1.414	3	126.8515	1.366	42	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	126.7290	0.000	1	126.9127	1.414	3	126.8515	1.366	42	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	128.1830	0.000	1	126.9127	1.414	3	126.8515	1.366	42	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	125.5165	0.590	2	126.9007	1.418	37	126.8515	1.366	42	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,2|N<2>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	127.0239	1.786	14	126.9007	1.418	37	126.8515	1.366	42	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	127.1314	0.601	9	126.9007	1.418	37	126.8515	1.366	42	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	126.9269	0.277	7	126.9007	1.418	37	126.8515	1.366	42	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|Ni<6>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	126.5017	0.580	3	126.9007	1.418	37	126.8515	1.366	42	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	127.2140	0.000	1	126.9007	1.418	37	126.8515	1.366	42	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|Ru<6>,1|C<3>,1|O<1>,2|N<3>}	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	126.5690	0.000	1	126.9007	1.418	37	126.8515	1.366	42	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<2>}	124.4100	0.000	1	124.4100	0.000	1	124.0105	0.319	2	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(O){1|H<1>,2|C<3>}	123.6110	0.000	1	123.6110	0.000	1	124.0105	0.319	2	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CH3)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	123.3870	0.000	1	123.3870	0.000	1	123.3870	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	126.9340	0.000	1	126.9340	0.000	1	126.5171	0.282	219	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	126.8079	0.657	8	126.7793	0.344	10	126.5171	0.282	219	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	126.6650	0.221	2	126.7793	0.344	10	126.5171	0.282	219	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	125.9460	0.000	1	125.9460	0.000	1	126.5171	0.282	219	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	125.6650	0.004	2	126.2534	0.351	9	126.5171	0.282	219	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	126.2600	0.000	1	126.2534	0.351	9	126.5171	0.282	219	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	126.1213	0.771	3	126.2534	0.351	9	126.5171	0.282	219	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	126.7757	0.162	3	126.2534	0.351	9	126.5171	0.282	219	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	127.0410	0.394	4	126.5167	0.273	198	126.5171	0.282	219	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	126.5996	0.541	117	126.5167	0.273	198	126.5171	0.282	219	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	126.3641	0.460	70	126.5167	0.273	198	126.5171	0.282	219	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Co<6>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	126.3930	0.000	1	126.5167	0.273	198	126.5171	0.282	219	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Mg<6>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	126.4120	0.000	1	126.5167	0.273	198	126.5171	0.282	219	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Pt<4>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	126.4740	0.519	2	126.5167	0.273	198	126.5171	0.282	219	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Zn<4>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	125.6040	0.000	1	126.5167	0.273	198	126.5171	0.282	219	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Zn<5>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	126.5715	0.183	2	126.5167	0.273	198	126.5171	0.282	219	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	124.5760	0.000	1	124.5760	0.000	1	124.7662	0.225	31	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	124.7666	0.218	5	124.7666	0.047	5	124.7662	0.225	31	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	125.0372	0.163	6	125.0372	0.026	6	124.7662	0.225	31	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	124.5820	0.150	2	124.6363	0.285	18	124.7662	0.225	31	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	125.2770	0.000	1	124.6363	0.285	18	124.7662	0.225	31	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	123.5140	0.000	1	124.6363	0.285	18	124.7662	0.225	31	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	124.2287	0.519	4	124.6363	0.285	18	124.7662	0.225	31	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	124.7810	0.000	1	124.6363	0.285	18	124.7662	0.225	31	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	124.4660	0.000	1	124.6363	0.285	18	124.7662	0.225	31	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	124.5060	0.000	1	124.6363	0.285	18	124.7662	0.225	31	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	124.9262	0.391	5	124.6363	0.285	18	124.7662	0.225	31	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	124.8340	0.000	1	124.6363	0.285	18	124.7662	0.225	31	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	125.3660	0.000	1	124.6363	0.285	18	124.7662	0.225	31	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O){1|Re<6>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	125.6670	0.000	1	125.6670	0.000	1	124.7662	0.225	31	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]H)2(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]H)2(CCHH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H){2|H<1>,3|C<3>}	122.5810	0.000	1	122.5810	0.000	1	122.5966	0.090	5	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]H)2(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]H)2(CH3){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H){2|H<1>,3|C<3>}	122.6005	0.347	4	122.6005	0.120	4	122.5966	0.090	5	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:S-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)(CCCH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)(CCCH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H){1|H<1>,1|S<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S){2|H<1>,3|C<3>}	122.9390	0.098	2	122.9390	0.010	2	122.9390	0.010	2	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H){1|H<1>,2|C<3>}	120.5960	0.000	1	120.5960	0.000	1	120.5960	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	124.1432	0.711	15	124.1321	0.474	16	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|O<1>,4|C<3>}	123.9650	0.000	1	124.1321	0.474	16	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|Br<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	125.0643	0.192	3	125.0657	0.258	67	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|C<2>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|C<2>,1|O<1>,3|C<3>}	124.7560	0.000	1	125.0657	0.258	67	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	125.1850	0.000	1	125.0657	0.258	67	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|Cl<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	125.4715	0.145	2	125.0657	0.258	67	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	124.6800	0.000	1	125.0657	0.258	67	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	125.0827	0.521	57	125.0657	0.258	67	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,3|C<3>}	124.9320	0.000	1	125.0657	0.258	67	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|O<1>,1|P<4>,3|C<3>}	123.9970	0.000	1	125.0657	0.258	67	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,3|C<3>}	123.3900	0.000	1	124.2240	1.391	2	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O){1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O){1|O<1>,4|C<3>}	125.0580	0.000	1	124.2240	1.391	2	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a]C)(O){1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a]C)(O){1|O<1>,4|C<3>}	124.7420	0.000	1	124.7420	0.000	1	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CC[5a]HH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[5a]HH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	125.2420	0.000	1	125.2420	0.000	1	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	125.3470	0.477	2	125.3470	0.227	2	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	124.8368	0.462	6	124.7691	0.210	7	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|O<1>,1|P<4>,3|C<3>}	124.3630	0.000	1	124.7691	0.210	7	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CH3)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CH3){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	125.5260	0.000	1	125.5260	0.000	1	124.8819	0.419	97	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:S-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCCH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCCH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|S<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S){1|H<1>,1|O<1>,3|C<3>}	123.4780	0.161	3	123.4780	0.026	3	124.2643	0.796	7	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:S-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|S<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S){1|H<1>,1|O<1>,3|C<3>}	124.8540	0.701	4	124.8540	0.492	4	124.2643	0.796	7	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	122.5630	0.000	1	122.5630	0.000	1	122.5223	0.023	3	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	122.3560	0.000	1	122.3560	0.000	1	122.5223	0.023	3	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a,6a]Se)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|Se<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	122.6480	0.000	1	122.6480	0.000	1	122.5223	0.023	3	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:I-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(CHHO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(I)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(CHHO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(I){1|O<1>,2|C<3>}	121.5020	0.000	1	121.5020	0.000	1	121.5020	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	119.5980	0.800	3	119.5980	0.639	3	124.7063	3.141	32	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	125.0545	0.344	2	125.0545	0.119	2	124.7063	3.141	32	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	125.0419	0.490	7	125.2371	0.290	16	124.7063	3.141	32	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	125.4173	0.270	3	125.2371	0.290	16	124.7063	3.141	32	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	124.8000	0.000	1	125.2371	0.290	16	124.7063	3.141	32	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	125.4896	0.688	5	125.2371	0.290	16	124.7063	3.141	32	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	124.2590	0.400	2	124.4603	0.202	3	124.7063	3.141	32	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	124.8630	0.000	1	124.4603	0.202	3	124.7063	3.141	32	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	125.5655	0.546	8	125.5655	0.298	8	124.7063	3.141	32	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a,6a]C[5])(N[6a]C[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]C[5])(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	122.3510	0.000	1	122.3510	0.000	1	122.3510	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,2|H<1>}	120.8430	0.000	1	120.8430	0.000	1	119.4378	0.435	10	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	119.0870	0.309	6	119.0870	0.096	6	119.4378	0.435	10	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(CCHH)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	120.2800	0.000	1	120.2800	0.000	1	119.4378	0.435	10	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	119.3665	0.062	2	119.3665	0.004	2	119.4378	0.435	10	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	123.0390	0.000	1	123.0390	0.000	1	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	121.8950	0.000	1	121.8950	0.000	1	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	123.3510	0.000	1	123.3510	0.000	1	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	122.3390	0.386	3	122.3390	0.149	3	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	123.4562	0.445	4	123.4562	0.198	4	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	122.1850	0.000	1	122.1850	0.000	1	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	123.2950	0.000	1	123.2950	0.000	1	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	121.7970	0.000	1	121.7970	0.000	1	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	122.9150	0.000	1	122.9150	0.000	1	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,2|C<3>}	121.7190	0.000	1	121.9710	0.127	2	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,2|C<3>}	122.2230	0.000	1	121.9710	0.127	2	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	123.0540	0.178	4	123.0540	0.032	4	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	122.5140	0.505	3	122.5140	0.255	3	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a]C)(H)	C[6a](C[6a]N[6a]Pd)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|Pd<4>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a]C)(H){1|C<3>,1|O<1>}	C[6a](C[6a]N[6a]Pd)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>}	121.9250	0.000	1	121.9250	0.000	1	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<2>}	122.9240	0.000	1	122.9240	0.000	1	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	123.2660	0.000	1	123.2660	0.000	1	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	123.4630	0.000	1	123.4630	0.000	1	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<2>}	122.8560	0.000	1	122.8560	0.000	1	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	123.7210	0.128	3	123.7210	0.016	3	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	121.3280	0.185	2	121.4343	0.051	3	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	121.6470	0.000	1	121.4343	0.051	3	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	122.5765	0.131	2	122.5765	0.017	2	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	123.3400	0.314	5	123.3400	0.098	5	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|H<1>,2|C<3>}	121.8203	0.566	4	121.8203	0.321	4	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	121.8630	0.228	3	122.2373	0.595	4	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	123.3600	0.000	1	122.2373	0.595	4	122.6735	0.572	49	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	121.5895	0.522	13	121.5826	0.252	14	121.4620	0.279	25	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	121.4930	0.000	1	121.5826	0.252	14	121.4620	0.279	25	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|S<2>,2|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	121.3076	0.592	5	121.3076	0.350	5	121.4620	0.279	25	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	120.9020	0.000	1	120.9020	0.000	1	121.4620	0.279	25	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	121.6775	0.100	2	121.6775	0.010	2	121.4620	0.279	25	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	121.1990	0.732	3	121.1990	0.536	3	121.4620	0.279	25	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]C)(O){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|O<1>}	121.8530	0.000	1	121.8530	0.000	1	121.8530	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	124.1810	0.000	1	124.1810	0.000	1	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	124.9467	0.192	3	124.9467	0.037	3	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	125.0575	0.512	11	125.0575	0.262	11	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<4>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|C<4>,1|O<1>}	124.8700	0.000	1	124.9093	0.242	4	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	124.9223	0.601	3	124.9093	0.242	4	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>,2|N<3>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	124.0150	0.000	1	124.0150	0.000	1	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	124.2080	0.000	1	124.2080	0.000	1	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	125.6230	0.000	1	124.3651	0.251	15	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	123.9080	0.000	1	124.3651	0.251	15	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	124.2297	0.228	8	124.3651	0.251	15	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	124.4216	0.547	5	124.3651	0.251	15	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	124.0260	0.000	1	124.0260	0.000	1	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	123.8840	0.000	1	123.8840	0.000	1	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|Cl<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|Cl<1>,1|C<3>,1|O<1>}	123.7610	0.000	1	123.7610	0.000	1	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<2>,1|O<1>}	124.0085	0.248	2	124.2813	0.153	13	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	123.7045	0.343	2	124.2813	0.153	13	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	124.4701	0.255	9	124.2813	0.153	13	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	125.3920	0.000	1	125.3920	0.000	1	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<3>,1|N<4>,1|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<4>,1|O<1>}	123.6050	0.861	2	124.8484	0.317	20	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	125.1242	0.326	9	124.8484	0.317	20	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<2>,1|O<1>}	125.0050	0.000	1	124.8484	0.317	20	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	125.0360	0.000	1	124.8484	0.317	20	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	124.7997	0.312	7	124.8484	0.317	20	124.6257	0.334	73	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:S-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>}	C[6a](N[6a]C[6a]C)2(S){1|C<3>,2|O<1>}	124.5008	0.640	23	124.5008	0.410	23	124.3048	0.506	41	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:S-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[6a](N[6a]C[6a]C)2(S){1|C<3>,2|O<1>}	124.6635	0.205	10	124.6635	0.042	10	124.3048	0.506	41	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:S-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C)2(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>}	C[6a](N[6a]C[6a]C)2(S){1|C<3>,2|O<1>}	123.2927	0.261	8	123.2927	0.068	8	124.3048	0.506	41	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[5,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH)	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	124.5990	0.000	1	124.5990	0.000	1	124.5990	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	124.7690	0.000	1	124.7690	0.000	1	124.7690	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6,6a]-3:N[6a]-3:S-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH)	C[6a](N[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(S)	C[6a](C[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH){1|C<4>,2|C<3>}	C[6a](N[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(S){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(O){2|S<1>,3|N<3>}	124.6270	0.000	1	124.6270	0.000	1	124.6270	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.4330	1.403	2	120.4330	1.968	2	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.1199	0.515	30	121.1327	0.261	31	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.5180	0.000	1	121.1327	0.261	31	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.3477	0.449	22	121.3477	0.202	22	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.1199	0.548	13	121.1199	0.300	13	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.9760	0.000	1	120.9760	0.000	1	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.0850	0.000	1	121.0850	0.000	1	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.2065	0.232	4	121.2065	0.054	4	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.2785	0.015	2	121.2785	0.000	2	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5a]HH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.6120	0.000	1	121.6120	0.000	1	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.6817	0.261	3	120.6817	0.068	3	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|F<1>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.0890	0.000	1	121.0890	0.000	1	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.2073	0.309	3	121.2073	0.096	3	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.9295	0.053	2	120.9295	0.003	2	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.3315	0.131	2	121.3315	0.017	2	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]Pt)(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	C[6a](N[6a]C[6a]Pt)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.0875	0.209	2	120.0875	0.044	2	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]Pt)(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](N[6a]C[6a]Pt)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.9200	0.000	1	120.9200	0.000	1	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[5a]HH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.8260	0.000	1	121.8260	0.000	1	121.1461	0.264	92	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	125.5330	0.000	1	125.5330	0.000	1	124.7810	0.919	8	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	124.0240	0.000	1	124.0240	0.000	1	124.7810	0.919	8	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	123.5080	0.000	1	123.4785	0.002	2	124.7810	0.919	8	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	123.4490	0.000	1	123.4785	0.002	2	124.7810	0.919	8	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	125.2635	0.073	2	125.2635	0.005	2	124.7810	0.919	8	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	125.4130	0.000	1	125.4130	0.000	1	124.7810	0.919	8	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	125.7940	0.000	1	125.7940	0.000	1	124.7810	0.919	8	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(CCHH)	C[6a](N[6a]C[6a]C)2(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	124.3940	0.559	28	124.3940	0.312	28	124.3147	0.301	38	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(CC[5a]CH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]O)2(CC[5a]CH){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	122.8590	0.000	1	122.8590	0.000	1	124.3147	0.301	38	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(CC[6a]HH)	C[6a](N[6a]C[6a]C)2(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	124.2870	0.116	3	124.2870	0.014	3	124.3147	0.301	38	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(CH3)	C[6a](N[6a]C[6a]C)2(O)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	124.2013	0.249	6	124.2013	0.062	6	124.3147	0.301	38	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.2270	0.000	1	121.2270	0.000	1	121.6290	0.323	2	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){3|H<1>,4|C<3>}	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.0310	0.000	1	122.0310	0.000	1	121.6290	0.323	2	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:N[6a]-3:O-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]H)(O){1|H<1>,1|O<1>,2|C<4>,2|N<3>}	123.0940	0.000	1	123.0940	0.000	1	123.0940	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[4]C[4]2H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[4])(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[4])(O)	N[6a](C[6a]C[6a,6a]O)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[4])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[4])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	123.7625	0.070	2	123.7625	0.005	2	123.7625	0.005	2	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[4]C[4]2H)	C[6a](N[6a]C[6a]C[4])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[4])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[4]C[4]2H){1|C<3>,2|F<1>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[4])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6a](N[6a]C[6a]C[4])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.7960	0.000	1	120.7960	0.000	1	120.7960	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[5]C[5]2H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[5])(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[5])(O)	N[6a](C[6a]C[6a,6a]O)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	123.7890	0.000	1	123.7890	0.000	1	123.7890	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2C)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2C){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	120.8920	0.000	1	120.8920	0.000	1	120.6606	0.105	5	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){2|C<3>,3|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.9810	0.000	1	120.9810	0.000	1	120.6606	0.105	5	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.6290	0.000	1	120.4767	0.081	3	120.6606	0.105	5	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,2|F<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.6530	0.000	1	120.4767	0.081	3	120.6606	0.105	5	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	120.1480	0.000	1	120.4767	0.081	3	120.6606	0.105	5	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(C[6]C[6]2H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O)	C[6a](N[6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[6a](N[6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	124.8170	0.000	1	124.8170	0.000	1	124.8170	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2C)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2C){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	121.3870	0.000	1	121.3870	0.000	1	123.0754	0.993	16	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	123.1083	1.117	10	123.1880	0.846	15	123.0754	0.993	16	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	123.3474	0.330	5	123.1880	0.846	15	123.0754	0.993	16	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[6]C[6]2H)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[6]C[6]2H){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.8040	0.000	1	120.8040	0.000	1	120.8040	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a]S)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SC[6a]OO){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]Si)(N[6a]C[6a]S)(O){1|C<3>,2|H<1>}	122.7040	0.000	1	122.7040	0.000	1	122.7040	0.000	1	124.4580	4.252	818	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC){1|N<3>,2|O<1>}	120.9760	0.000	1	120.9760	0.000	1	120.9760	0.000	1	120.9760	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CCHH)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	121.7050	0.000	1	121.7050	0.000	1	121.4135	0.353	4	121.4135	0.353	4	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	120.8740	0.000	1	120.8740	0.000	1	121.4135	0.353	4	121.4135	0.353	4	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	122.1090	0.000	1	122.1090	0.000	1	121.4135	0.353	4	121.4135	0.353	4	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CHHO)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NC[6a]C){1|N<3>,2|O<1>}	120.9660	0.000	1	120.9660	0.000	1	121.4135	0.353	4	121.4135	0.353	4	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(CCHH){1|C<3>,1|N<3>,1|O<1>}	124.4505	0.329	6	124.4505	0.108	6	124.1410	0.761	7	123.4499	1.854	11	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]C)(O)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	122.2840	0.000	1	122.2840	0.000	1	124.1410	0.761	7	123.4499	1.854	11	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	123.3560	0.000	1	123.3560	0.000	1	123.3560	0.000	1	123.4499	1.854	11	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(CHHN)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(CHHN){1|O<1>,4|C<3>}	122.9650	0.000	1	122.9650	0.000	1	122.9650	0.000	1	123.4499	1.854	11	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(O){1|C<4>,3|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>}	122.1340	0.000	1	122.1340	0.000	1	122.1340	0.000	1	123.4499	1.854	11	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	C[6a](N[6a]C[6a]2)(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CF3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a]2)(N[6a]C[6a]C)(O){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CF3){1|N<3>,2|O<1>}	120.5070	0.000	1	120.5070	0.000	1	120.5070	0.000	1	123.4499	1.854	11	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:N-2:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH)	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]C)(NH)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH){1|C<3>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]C)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[6a]C[5,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|N<3>}	122.3940	0.000	1	122.3940	0.000	1	122.3940	0.000	1	122.3940	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(OSr)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(OSr){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|N<3>,1|O<2>}	122.3270	0.000	1	122.3270	0.000	1	122.3270	0.000	1	122.3270	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OLi)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OLi){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	124.4710	0.000	1	124.4710	0.000	1	124.6504	0.017	5	123.2943	1.885	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OCo)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OCo){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	124.7770	0.023	2	124.7770	0.001	2	124.6504	0.017	5	123.2943	1.885	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OMn)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OMn){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	124.6410	0.000	1	124.6410	0.000	1	124.6504	0.017	5	123.2943	1.885	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OZn)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OZn){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	124.5860	0.000	1	124.5860	0.000	1	124.6504	0.017	5	123.2943	1.885	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CN){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<2>,1|C<3>,1|H<1>}	121.5950	0.000	1	121.5950	0.000	1	121.5950	0.000	1	123.2943	1.885	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CN)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CN){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<2>,2|C<3>}	120.0430	0.000	1	120.0430	0.000	1	120.0430	0.000	1	123.2943	1.885	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NC[6a])	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NC[6a]){1|C<4>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	122.5650	0.000	1	122.5650	0.000	1	122.6107	0.113	4	123.2943	1.885	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<2>,1|O<1>}	122.3930	0.100	2	122.3930	0.010	2	122.6107	0.113	4	123.2943	1.885	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NZn)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NZn){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<2>,1|O<1>}	123.0920	0.000	1	123.0920	0.000	1	122.6107	0.113	4	123.2943	1.885	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)2(CCHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(ONi)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(ONi){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<2>}	122.3380	0.000	1	122.3380	0.000	1	123.6430	3.406	2	123.2943	1.885	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)2(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(ONi)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)2(CH3){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(ONi){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<2>}	124.9480	0.000	1	124.9480	0.000	1	123.6430	3.406	2	123.2943	1.885	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(OH)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(OH){1|C<3>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	124.1090	0.000	1	124.1090	0.000	1	123.3358	0.864	5	123.2943	1.885	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(OH)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(OH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	122.3070	0.000	1	122.3070	0.000	1	123.3358	0.864	5	123.2943	1.885	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OPd)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OPd){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	122.7950	0.000	1	122.7950	0.000	1	123.3358	0.864	5	123.2943	1.885	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OPt)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OPt){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	122.9620	0.000	1	122.9620	0.000	1	123.3358	0.864	5	123.2943	1.885	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-2:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(OCd)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(OCd){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	124.5060	0.000	1	124.5060	0.000	1	123.3358	0.864	5	123.2943	1.885	18	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CH3){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<4>,2|C<3>}	121.3850	0.000	1	121.3850	0.000	1	121.3850	0.000	1	121.3850	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]C){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	122.1845	0.134	2	122.1845	0.018	2	122.1845	0.018	2	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(NHH)	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(NHH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>}	124.2765	0.316	2	124.2765	0.100	2	124.2765	0.100	2	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|S<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){4|C<3>}	122.7465	0.226	2	122.7465	0.051	2	122.7465	0.051	2	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){4|C<3>}	123.6800	0.000	1	123.6800	0.000	1	123.1412	0.157	6	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){5|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,4|C<3>}	122.8490	0.000	1	122.8490	0.000	1	123.1412	0.157	6	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,4|C<3>}	122.9880	0.000	1	122.9880	0.000	1	123.1412	0.157	6	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,4|C<3>}	122.8730	0.000	1	122.8730	0.000	1	123.1412	0.157	6	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,4|C<3>}	123.2285	0.548	2	123.2285	0.300	2	123.1412	0.157	6	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC3)	C[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a]B[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC3){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(N[6a]C[6a]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]B[6a]H)(N[6a]C[6a]C)(H){1|C<4>,2|C<3>}	117.8568	0.259	4	117.8568	0.067	4	117.8568	0.067	4	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){3|C<3>}	122.5800	0.000	1	122.5800	0.000	1	122.1070	0.447	2	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]C)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	121.6340	0.000	1	121.6340	0.000	1	122.1070	0.447	2	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(CNO)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(CNO){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	121.2860	0.000	1	121.2860	0.000	1	121.1950	0.006	3	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(CC[6a]H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	121.1495	0.021	2	121.1495	0.000	2	121.1950	0.006	3	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CHH)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CHH){1|C<2>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<2>,2|C<3>}	124.9690	0.000	1	124.9690	0.000	1	124.9690	0.000	1	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<3>,2|C<3>}	123.5080	0.740	2	123.5080	0.547	2	123.5260	0.275	3	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|C<3>,1|O<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|S<2>}	123.5620	0.000	1	123.5620	0.000	1	123.5260	0.275	3	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6]H)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6]H){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	121.6730	0.000	1	121.6730	0.000	1	122.4666	0.321	34	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(NHH)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(NHH){1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	122.5810	0.000	1	122.5810	0.000	1	122.4666	0.321	34	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	122.2674	0.460	8	122.4080	0.243	12	122.4666	0.321	34	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	122.6893	0.491	4	122.4080	0.243	12	122.4666	0.321	34	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NReH)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NReH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	122.7980	0.000	1	122.7980	0.000	1	122.4666	0.321	34	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NHH)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	122.0630	0.000	1	122.0630	0.000	1	122.4666	0.321	34	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(NHH)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(NHH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	122.7770	0.000	1	122.7770	0.000	1	122.4666	0.321	34	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NCC)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NCC){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	121.7210	0.000	1	121.7210	0.000	1	122.4666	0.321	34	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	121.7195	0.538	2	121.7195	0.290	2	122.4666	0.321	34	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCuC)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCuC){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	122.6260	0.437	2	122.6260	0.191	2	122.4666	0.321	34	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	122.6151	0.304	9	122.5230	0.167	10	122.4666	0.321	34	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	121.6940	0.000	1	122.5230	0.167	10	122.4666	0.321	34	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NNiH)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NNiH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	123.7170	0.075	2	123.7170	0.006	2	122.4666	0.321	34	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N[6]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	121.7610	0.271	7	121.7610	0.073	7	121.7610	0.073	7	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)2{1|H<1>,1|P<3>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	121.8403	0.128	6	121.8403	0.016	6	121.8403	0.016	6	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]S)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(SC[6a]OO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]S){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]S)(O){1|H<1>,4|C<3>}	121.7315	0.039	2	121.7315	0.002	2	121.7315	0.002	2	122.1991	1.702	74	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]2)2(CC[6a]HH){2|I<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	119.8630	0.000	1	119.8630	0.000	1	119.8630	0.000	1	119.8630	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-3:C[4]-4:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(C[4]C[4]2H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(C[4]C[4]2H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<3>}	124.1480	0.267	2	124.1480	0.071	2	124.1480	0.071	2	124.1480	0.071	2	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|C<4>,1|N<2>,1|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,2|C<4>}	122.0390	0.000	1	122.0390	0.000	1	122.0390	0.000	1	122.0390	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|C<4>}	123.6900	0.000	1	123.7390	0.005	2	123.7390	0.005	2	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3)	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|C<4>}	123.7880	0.000	1	123.7390	0.005	2	123.7390	0.005	2	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(CH3){2|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	123.6300	0.000	1	123.6300	0.000	1	123.6300	0.000	1	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a,6a]C[3])(N[6a]C[6a]C)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]C[3])(N[6a]C[6a]C)(CCHH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	123.3340	0.000	1	123.3340	0.000	1	123.3340	0.000	1	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	119.6590	0.108	3	119.6590	0.012	3	120.3007	0.692	16	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	120.0110	0.000	1	120.0110	0.000	1	120.3007	0.692	16	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	120.6480	0.000	1	120.6480	0.000	1	120.3007	0.692	16	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	120.0275	0.211	6	120.0275	0.044	6	120.3007	0.692	16	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	120.4010	0.000	1	120.4010	0.000	1	120.3007	0.692	16	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	123.0640	0.000	1	121.1522	1.781	4	120.3007	0.692	16	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	120.5150	0.485	3	121.1522	1.781	4	120.3007	0.692	16	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|C<4>}	122.9232	0.489	4	122.7487	0.276	6	122.7009	0.246	7	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	122.3995	0.544	2	122.7487	0.276	6	122.7009	0.246	7	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	122.4140	0.000	1	122.4140	0.000	1	122.7009	0.246	7	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(CH3)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH){3|C<3>}	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(O){1|C<4>,4|C<3>}	123.5980	0.000	1	123.5980	0.000	1	123.5980	0.000	1	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|C<4>,1|O<1>}	121.7470	0.000	1	121.7470	0.000	1	121.8003	0.152	6	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>}	121.8110	0.435	5	121.8110	0.189	5	121.8003	0.152	6	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-4:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NH3)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NH3){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<4>,1|O<1>}	122.3090	0.134	2	122.3090	0.018	2	122.3090	0.018	2	121.5882	1.990	36	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)2(CH3)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	120.2130	0.221	3	120.2130	0.049	3	120.2130	0.049	3	120.2130	0.049	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:3:4:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3)	C[6a](C[5]C[5]2Fe)(C[6a]B[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]B[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3){1|Fe<10>,1|B<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]2Fe)(C[6a]B[6a]H)(N[6a]C[6a]C){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]B[6a]H)(N[6a]C[6a]C)(H){1|C<3>,2|C<4>}	118.0270	0.000	1	118.0270	0.000	1	118.0270	0.000	1	118.0270	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:4:3:	3:3:1:	3:2:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[5a,6a])(O)	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[5a,6a])(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	123.2060	0.051	2	123.2060	0.003	2	123.2060	0.003	2	122.6850	0.816	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:4:3:	3:3:1:	3:2:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(O)	N[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>,2|O<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.6430	0.000	1	121.6430	0.000	1	121.6430	0.000	1	122.6850	0.816	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:4:3:	3:3:1:	3:3:1:	C[6a]-3:C[3x6]-4:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[3x6]C[6,6]3)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]C[6a])(O)	C[6a](N[6a]C[3x6]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[3x6]C[6,6]3)(C[6a]N[6a]O){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](N[6a]C[3x6]C[6a])(N[6a]C[6a,6a]H)(O){1|O<1>,2|C<3>,3|C<4>}	121.1350	0.000	1	121.1350	0.000	1	121.1350	0.000	1	122.4100	1.223	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:4:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C[5])(H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(O)	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	122.9850	0.000	1	122.9850	0.000	1	123.0475	0.008	2	122.4100	1.223	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	3:4:3:	3:3:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C[5])(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C[5])(O)	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	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>}	123.1100	0.000	1	123.1100	0.000	1	123.0475	0.008	2	122.4100	1.223	3	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	119.8540	0.000	1	119.8540	0.000	1	119.8540	0.000	1	119.8540	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(O)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.1070	0.000	1	121.1070	0.000	1	121.1070	0.000	1	120.5944	0.404	45	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9538	0.211	6	120.7791	0.151	8	120.5973	0.455	38	120.5944	0.404	45	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.2550	0.315	2	120.7791	0.151	8	120.5973	0.455	38	120.5944	0.404	45	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|F<1>,1|S<2>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7820	1.213	4	120.7820	1.472	4	120.5973	0.455	38	120.5944	0.404	45	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4198	0.542	9	120.5895	0.329	24	120.5973	0.455	38	120.5944	0.404	45	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5800	0.000	1	120.5895	0.329	24	120.5973	0.455	38	120.5944	0.404	45	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5627	0.302	6	120.5895	0.329	24	120.5973	0.455	38	120.5944	0.404	45	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	120.5440	0.000	1	120.5895	0.329	24	120.5973	0.455	38	120.5944	0.404	45	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8386	0.823	7	120.5895	0.329	24	120.5973	0.455	38	120.5944	0.404	45	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|C<4>}	118.7630	0.000	1	118.7630	0.000	1	120.5973	0.455	38	120.5944	0.404	45	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	120.4240	0.000	1	120.4240	0.000	1	120.5973	0.455	38	120.5944	0.404	45	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9550	0.000	1	120.4248	0.122	5	120.4908	0.124	6	120.5944	0.404	45	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.2922	0.214	4	120.4248	0.122	5	120.4908	0.124	6	120.5944	0.404	45	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	N[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.8210	0.000	1	120.8210	0.000	1	120.4908	0.124	6	120.5944	0.404	45	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:2:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(SC)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.0080	0.000	1	118.0080	0.000	1	118.0080	0.000	1	118.0080	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:2:3:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.7190	0.000	1	117.7190	0.000	1	117.7190	0.000	1	117.7190	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.3563	0.832	3	121.4400	0.376	5	121.3585	0.399	8	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.5655	0.260	2	121.4400	0.376	5	121.3585	0.399	8	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.3840	1.022	2	121.2227	0.601	3	121.3585	0.399	8	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.9000	0.000	1	121.2227	0.601	3	121.3585	0.399	8	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>,2|O<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.0220	1.288	2	121.0220	1.660	2	120.9144	0.508	5	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C[5])(H){1|Fe<10>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.0165	0.391	2	121.0165	0.153	2	120.9144	0.508	5	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,1|S<2>,2|O<1>,4|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	120.4950	0.000	1	120.4950	0.000	1	120.9144	0.508	5	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[5]N[5,6]Si[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(O)	N[6a](C[5]N[5,6]Si[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(O){1|Si<4>,1|C<3>,1|N<3>,3|H<1>}	122.9230	0.000	1	122.9230	0.000	1	122.9230	0.000	1	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.8950	0.000	1	121.8950	0.000	1	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.9990	0.000	1	120.9990	0.000	1	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.6560	0.000	1	121.6560	0.000	1	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	121.6725	0.111	2	121.6725	0.012	2	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.3670	0.000	1	120.3670	0.000	1	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.2760	0.000	1	121.2760	0.000	1	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.8910	0.607	4	120.8910	0.368	4	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.2770	0.000	1	121.2717	0.000	4	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.2750	0.000	2	121.2717	0.000	4	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.2600	0.000	1	121.2717	0.000	4	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.3100	0.000	1	121.2695	0.003	2	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.2290	0.000	1	121.2695	0.003	2	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	122.0050	0.645	4	122.0050	0.416	4	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.7560	0.000	1	121.7560	0.000	1	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,4|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	122.2310	0.257	4	122.2310	0.066	4	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.7185	0.390	2	121.2970	0.241	47	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.3000	0.201	4	121.2970	0.241	47	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.0965	0.103	2	121.2970	0.241	47	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.5563	0.156	7	121.2970	0.241	47	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.2509	0.559	28	121.2970	0.241	47	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.6730	0.000	1	121.2970	0.241	47	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.3200	0.000	1	121.2970	0.241	47	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.1090	0.291	2	121.2970	0.241	47	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.4140	0.000	1	121.2979	0.037	7	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.2384	0.198	5	121.2979	0.037	7	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.4790	0.000	1	121.2979	0.037	7	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.4130	0.000	1	121.6940	0.296	3	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.8345	0.688	2	121.6940	0.296	3	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.5390	0.720	2	121.4218	0.131	27	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.2460	0.000	1	121.4218	0.131	27	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.2725	0.093	4	121.4218	0.131	27	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.5730	0.000	1	121.4218	0.131	27	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.4835	0.359	11	121.4218	0.131	27	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.3363	0.255	3	121.4218	0.131	27	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.4150	0.548	5	121.4218	0.131	27	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]I)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|I<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.3215	0.390	2	121.3215	0.152	2	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|S<3>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<3>,2|H<1>}	121.5310	0.000	1	121.5310	0.000	1	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>,3|F<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	122.0160	0.000	2	122.0160	0.000	2	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	120.8660	0.000	1	120.8660	0.000	1	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Se<2>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.9780	0.000	1	120.8430	0.036	2	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|O<1>,2|C<3>,2|H<1>}	120.7080	0.000	1	120.8430	0.036	2	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.9050	0.000	1	120.6530	0.127	2	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.4010	0.000	1	120.6530	0.127	2	121.3751	0.243	120	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6]C[3x6]O[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6,6]C[6a])(C[6a]C[6a]C)(H)	C[6a](N[6a]C[6,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6,6]C[3x6]O[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6,6]C[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.0540	0.087	6	121.0540	0.008	6	121.0540	0.008	6	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|O<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	121.0940	0.075	2	121.0940	0.006	2	121.3070	0.139	3	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.7330	0.000	1	121.7330	0.000	1	121.3070	0.139	3	121.3540	0.268	143	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(COO)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	120.1200	0.000	1	120.1200	0.000	1	120.1200	0.000	1	120.1200	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:4:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.1940	0.000	1	120.1940	0.000	1	120.1940	0.000	1	120.1940	0.000	1	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]O)(CH3)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	120.6695	0.387	2	120.6695	0.150	2	120.6695	0.150	2	121.0240	0.253	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	121.7890	0.000	1	121.7890	0.000	1	121.2603	0.222	3	121.0240	0.253	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP2_SP2_SP2	N[6a]	C[6a]	C[6a]	4:3:3:	3:3:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	120.9960	0.160	2	120.9960	0.026	2	121.2603	0.222	3	121.0240	0.253	5	123.9814	5.503	3160	123.3658	6.215	4340
217	643	643	6:SP3_SP2_SP2	N[6a]	C[6a,6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]S)	C[6a](N[6a]C[6a,6a]S)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]S)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	116.0760	0.000	1	116.0760	0.000	1	116.0760	0.000	1	116.0760	0.000	1	116.0760	0.000	1	116.0760	0.000	1