813	519	762	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]O[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]C[6a])	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a]O[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a]){1|B<4>,2|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|O<2>,2|H<1>,5|C<3>}	121.2040	0.000	1	121.2040	0.000	1	121.2040	0.000	1	121.2040	0.000	1	121.2040	0.000	1	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6]	3:2:3:	3:2:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[6]-2:N-3:	N[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]N)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH)	N[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]N){1|C<4>,3|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH){1|C<4>,1|N<2>,3|C<3>}	125.2975	0.258	2	125.2975	0.067	2	125.2975	0.067	2	125.2975	0.067	2	125.0022	8.842	18	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-3:N-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C)(NHH)	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N){1|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C)(NHH){1|N<2>,3|C<3>}	123.1400	0.000	1	123.1400	0.000	1	123.1400	0.000	1	123.1400	0.000	1	125.0022	8.842	18	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6]	3:2:3:	3:2:	3:4:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-4:O-1:	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]C[6]O)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<4>,1|N<3>,1|O<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|N<2>}	126.1920	0.000	1	126.1920	0.000	1	126.1920	0.000	1	126.1920	0.000	1	125.0022	8.842	18	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:	N[5a,6]-3:N[6]-2:N-3:	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a])(NCH)	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]N){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a])(NCH){4|C<3>}	122.0710	0.000	1	122.0710	0.000	1	122.0710	0.000	1	123.2693	19.055	6	125.0022	8.842	18	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[6]-2:N-3:	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|H<1>,2|N<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|N<2>,3|N<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){2|C<3>,2|N<3>}	124.7710	0.000	1	124.7710	0.000	1	126.9037	3.422	3	123.2693	19.055	6	125.0022	8.842	18	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[6]-2:N-3:	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a]){1|N<2>,2|C<3>,2|N<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	127.9700	0.150	2	127.9700	0.022	2	126.9037	3.422	3	123.2693	19.055	6	125.0022	8.842	18	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:S[6]-2:C-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])(C[6]S[6]C)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[6](N[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(CCH)	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])(C[6]S[6]C){1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|H<1>,1|S<2>,2|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(CCH){4|C<3>}	118.4170	0.529	2	118.4170	0.280	2	118.4170	0.280	2	123.2693	19.055	6	125.0022	8.842	18	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	125.0022	8.842	18	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[6]-3:N[6]-2:	N[5a,6](C[5a,6]C[5a]O[6])(N[5a]C[5a])(C[6]N[6]2)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]2)(N[6]S[6])	N[5a,6](C[5a,6]C[5a]O[6])(N[5a]C[5a])(C[6]N[6]2){1|H<1>,1|S<4>,3|C<4>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]2)(N[6]S[6]){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	126.8990	0.313	2	126.8990	0.098	2	126.8990	0.098	2	126.8990	0.098	2	125.0022	8.842	18	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]C[6]2)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(C[6]C[6]Pd)	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]C[6]2){2|Pd<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(C[6]C[6]Pd){1|N<3>,2|H<1>,4|C<3>}	127.7600	0.000	1	127.7600	0.000	1	127.7600	0.000	1	126.8745	1.568	2	125.0022	8.842	18	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:N-3:	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NHH)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N){1|C<3>,3|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,2|N<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	125.9890	0.000	1	125.9890	0.000	1	125.9890	0.000	1	126.8745	1.568	2	125.0022	8.842	18	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6]	3:2:3:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:C-4:	N[5a,6](C[5a,6]N[5a,6]N[6])(N[5a]C[5a,6])(C[6]C[6]C)	N[5a](C[5a,6]N[5a,6]N[6])(N[5a,6]C[5a,6]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3)	N[5a,6](C[5a,6]N[5a,6]N[6])(N[5a]C[5a,6])(C[6]C[6]C){1|C<3>,1|N<3>,2|C<4>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a,6]C[5a,6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	126.0480	0.000	1	126.0480	0.000	1	126.0480	0.000	1	126.0480	0.000	1	125.0022	8.842	18	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a,6]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:	N[5a,6](C[5a,6]N[5a,6]N[6])(C[6]C[6a]C[6])(N[5a]C[5a,6])	N[5a](C[5a,6]N[5a,6]N[6])(N[5a,6]C[5a,6]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)	N[5a,6](C[5a,6]N[5a,6]N[6])(C[6]C[6a]C[6])(N[5a]C[5a,6]){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a,6]C[5a,6]C[6]){1|N<2>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	127.1385	0.400	2	127.1385	0.160	2	127.1385	0.160	2	127.1385	0.160	2	125.0022	8.842	18	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|H<1>,1|O<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	119.8180	0.000	1	119.8180	0.000	1	121.2667	1.629	3	121.2667	1.629	3	119.6758	2.391	24	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6]	3:2:3:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	121.9910	0.331	2	121.9910	0.110	2	121.2667	1.629	3	121.2667	1.629	3	119.6758	2.391	24	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6]-2:N[6]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[6](N[5a]C[5a]N[5a])(N[6]C[6])(N[6]P[6])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	C[6](N[5a]C[5a]N[5a])(N[6]C[6])(N[6]P[6]){1|C<4>,1|N<2>,2|C<3>,3|N<3>}	118.5930	0.000	1	118.5930	0.000	1	118.5930	0.000	1	118.5930	0.000	1	119.6758	2.391	24	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6]-3:C[6]-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(C[6]C[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6])	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(C[6]C[6]2){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<2>,1|O<2>,2|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]){1|H<1>,1|O<2>,3|C<3>}	121.2190	0.000	1	121.2190	0.000	1	121.2190	0.000	1	118.9656	1.787	5	119.6758	2.391	24	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6]-3:N[6]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]P[6])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]P[6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	118.7500	0.537	2	118.7500	0.289	2	118.4023	0.267	4	118.9656	1.787	5	119.6758	2.391	24	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6]-3:N[6]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[6](N[5a]C[5a]N[5a])(N[6]N[6]H)(N[6]N[6])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[5a]C[5a]N[5a])(N[6]N[6]H)(N[6]N[6]){1|C<4>,1|H<1>,3|C<3>}	118.0545	0.168	2	118.0545	0.028	2	118.4023	0.267	4	118.9656	1.787	5	119.6758	2.391	24	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]O)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6]){2|H<1>,4|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]O)2{1|C<4>,2|C<3>,5|H<1>}	119.0350	0.000	1	119.0350	0.000	1	119.0350	0.000	1	118.1243	0.396	4	119.6758	2.391	24	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	117.8330	0.000	1	117.8207	0.040	3	117.8207	0.040	3	118.1243	0.396	4	119.6758	2.391	24	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6]-3:C[6]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|Ru<6>,1|H<1>,1|O<1>,3|C<3>}	117.8145	0.284	2	117.8207	0.040	3	117.8207	0.040	3	118.1243	0.396	4	119.6758	2.391	24	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6]	3:3:2:	3:2:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6,6a]-3:N[5a]-3:C[6]-3:	N[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)	N[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	120.3260	0.000	1	120.3260	0.000	1	120.3260	0.000	1	120.3260	0.000	1	119.6758	2.391	24	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:2:2:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6]-2:P[6]-2:	N[5a](C[6]N[6]P[6])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[6](N[5a]C[5a]N[5a])(N[6]N[6])(P[6]C[6])	N[5a](C[6]N[6]P[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,1|P<2>}	C[6](N[5a]C[5a]N[5a])(N[6]N[6])(P[6]C[6]){1|C<4>,1|O<2>,3|C<3>}	118.0480	0.000	1	118.0480	0.000	1	118.0480	0.000	1	118.0480	0.000	1	119.6758	2.391	24	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6]-3:N[6]-2:	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[6](N[5a]C[5a]N[5a])(C[6]P[6]O)(N[6]N[6])	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|P<2>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](N[5a]C[5a]N[5a])(C[6]P[6]O)(N[6]N[6]){1|C<4>,3|C<3>}	119.9150	0.000	1	119.9150	0.000	1	120.7901	0.854	8	120.7901	0.854	8	119.6758	2.391	24	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6]-3:N[6]-2:	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	120.9215	0.412	2	120.9151	0.851	7	120.7901	0.854	8	120.7901	0.854	8	119.6758	2.391	24	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6]-3:N[6]-2:	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	120.9126	1.111	5	120.9151	0.851	7	120.7901	0.854	8	120.7901	0.854	8	119.6758	2.391	24	121.9410	11.849	43
813	519	762	0:SP2_SP2_SP2	N[5a]	N[5a]	C[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6]-3:C[6]-3:	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]Mn)(C[6]C[6]H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|Mn<6>,1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[5a]C[5a]N[5a])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	117.8070	0.000	1	117.8070	0.000	1	117.8070	0.000	1	117.8070	0.000	1	119.6758	2.391	24	121.9410	11.849	43
813	519	770	0:SP2_SP2_SP2	N[5a]	N[5a]	B	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:B-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BC[6a]2)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BC[6a]2){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2	113.2620	0.000	1	113.2620	0.000	1	113.2620	0.000	1	117.9860	10.839	4	117.9860	10.839	4	117.9860	10.839	4
813	519	770	0:SP2_SP2_SP2	N[5a]	N[5a]	B	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:B-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	B(N[5a]C[5a]N[5a])3	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	B(N[5a]C[5a]N[5a])3	119.5607	1.175	3	119.5607	1.381	3	119.5607	1.381	3	117.9860	10.839	4	117.9860	10.839	4	117.9860	10.839	4
813	519	786	0:SP2_SP2_SP3	N[5,5a]	N[5a]	B[5]	3:4:2:	3:2:	3:3:3:3:	C[5,5a]-3:B[5]-4:N[5a]-2:	N[5,5a]-3:N[5a]-2:	N[5,5a]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5,5a](C[5,5a]C[5a]P[5])(B[5]C[6a]2N[5])(N[5a]N[5a])	N[5a](N[5,5a]C[5,5a]B[5])(N[5a]C[5a])	B[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(N[5]P[5]H)	N[5,5a](C[5,5a]C[5a]P[5])(B[5]C[6a]2N[5])(N[5a]N[5a]){1|H<1>,7|C<3>}	N[5a](N[5,5a]C[5,5a]B[5])(N[5a]C[5a]){1|N<3>,1|P<4>,3|C<3>}	B[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)2(N[5]P[5]H){1|N<2>,4|F<1>,7|C<3>}	129.3220	0.000	1	129.3220	0.000	1	129.3220	0.000	1	129.3220	0.000	1	129.3220	0.000	1	129.3220	0.000	1
813	519	790	0:SP2_SP-NON_SP2	N[5a]	N[5a]	Cl	3:2:1:	3:2:	3:	C[5a,6a]-3:N[5a]-2:Cl-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	N[5a](N[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])	Cl(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]){2|C<3>}	Cl(N[5a]C[5a,6a]N[5a])	120.4220	0.000	1	120.4220	0.000	1	120.4220	0.000	1	120.4220	0.000	1	120.4220	0.000	1	120.4220	0.000	1
813	519	813	0:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	N[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	120.2870	0.020	2	120.2870	0.000	2	120.2870	0.000	2	119.9557	0.240	4	119.9557	0.240	4	119.9557	0.240	4
813	519	813	0:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](N[5a]C[5a]N[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	119.9990	0.000	1	119.6245	0.281	2	119.6245	0.281	2	119.9557	0.240	4	119.9557	0.240	4	119.9557	0.240	4
813	519	813	0:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](N[5a]C[5a]N[5a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	119.2500	0.000	1	119.6245	0.281	2	119.6245	0.281	2	119.9557	0.240	4	119.9557	0.240	4	119.9557	0.240	4
813	519	813	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:N[5a]-2:	C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2)	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2{1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2){1|H<1>,4|C<3>}	114.5330	0.000	1	114.5643	0.009	4	114.5643	0.009	4	114.5643	0.009	4	113.5122	0.851	11	113.8245	4.445	13
813	519	813	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:N[5a]-2:	C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2)	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2{1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a]){1|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2){1|H<1>,4|C<3>}	114.4420	0.000	1	114.5643	0.009	4	114.5643	0.009	4	114.5643	0.009	4	113.5122	0.851	11	113.8245	4.445	13
813	519	813	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:N[5a]-2:	C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2)	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2{1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a]){1|N<3>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2){1|H<1>,4|C<3>}	114.6220	0.000	1	114.5643	0.009	4	114.5643	0.009	4	114.5643	0.009	4	113.5122	0.851	11	113.8245	4.445	13
813	519	813	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	N[5a,5a]	3:2:2:	3:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:N[5a]-2:	C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2)	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2{1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a]){2|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2){1|H<1>,4|C<3>}	114.6600	0.000	1	114.5643	0.009	4	114.5643	0.009	4	114.5643	0.009	4	113.5122	0.851	11	113.8245	4.445	13
813	519	813	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:N[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(N[5a]C[5a])	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]C)	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C){4|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,4|C<3>}	113.1700	0.000	1	113.1700	0.000	1	113.1700	0.000	1	112.9110	0.254	7	113.5122	0.851	11	113.8245	4.445	13
813	519	813	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)2	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)2{1|C<3>,2|H<1>}	113.8810	0.000	1	113.8810	0.000	1	112.8678	0.289	6	112.9110	0.254	7	113.5122	0.851	11	113.8245	4.445	13
813	519	813	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]N)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]N){1|C<3>,2|H<1>}	112.7117	0.295	3	112.7117	0.087	3	112.8678	0.289	6	112.9110	0.254	7	113.5122	0.851	11	113.8245	4.445	13
813	519	813	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)2	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)2{1|C<3>,2|H<1>}	112.4850	0.000	1	112.4850	0.000	1	112.8678	0.289	6	112.9110	0.254	7	113.5122	0.851	11	113.8245	4.445	13
813	519	813	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	N[5a,5a]	3:3:2:	3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H){1|N<2>,3|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	112.7060	0.000	1	112.7060	0.000	1	112.8678	0.289	6	112.9110	0.254	7	113.5122	0.851	11	113.8245	4.445	13
813	519	813	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	N[5a,6a]	3:3:2:	3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	N[5a](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|O<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O){1|C<4>,1|H<1>,4|C<3>}	111.1910	0.000	1	111.1910	0.000	1	111.1910	0.000	1	111.1910	0.000	1	111.1910	0.000	1	113.8245	4.445	13
813	519	813	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:3:2:	3:2:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](N[5a]C[5a]N[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	119.8930	0.000	1	119.8930	0.000	1	119.8930	0.000	1	119.8930	0.000	1	119.8930	0.000	1	113.8245	4.445	13
813	519	818	0:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5]	3:2:3:	3:3:	3:3:2:	C[5,5a]-3:N[5a]-2:C[5]-3:	N[5,5a]-3:C[5a]-3:	N[5,5a]-3:N[5]-3:N-2:	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]N)	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NH)	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N){1|H<1>,2|N<3>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]N){2|N<2>,2|N<3>}	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NH){1|C<3>,1|N<3>}	138.7930	0.000	1	138.7930	0.000	1	138.7930	0.000	1	138.7930	0.000	1	137.8856	14.856	5	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5]	3:2:3:	3:3:	3:3:3:	C[5,5a]-3:N[5a]-2:C[5]-3:	N[5,5a]-3:C[5a]-3:	N[5,5a]-3:N[5]-3:N-3:	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]N)	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NHH)	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N){1|H<1>,2|N<3>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]N){1|N<2>,3|N<3>}	C[5](N[5,5a]C[5,5a]N[5a])(N[5]N[5]H)(NHH){1|C<3>,1|N<3>}	139.3760	0.000	1	139.3760	0.000	1	139.3760	0.000	1	139.3760	0.000	1	137.8856	14.856	5	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-3:N[5a]-2:	N[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[6a]-3:N[5]-3:	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]D)	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a]){1|C<4>,2|C<3>,2|D<1>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C){1|C<3>,1|D<1>,1|N<2>,1|N<3>}	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]D){1|N<3>,2|H<1>,3|C<3>}	140.0370	0.000	1	140.0370	0.000	1	140.0990	0.008	2	140.0990	0.008	2	137.8856	14.856	5	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-3:N[5a]-2:	N[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[6a]-3:N[5]-3:	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]H)	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	140.1610	0.000	1	140.1610	0.000	1	140.0990	0.008	2	140.0990	0.008	2	137.8856	14.856	5	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5]	3:3:2:	3:3:	4:3:1:	C[5,5a]-3:C[5]-3:N[5a]-2:	N[5,5a]-3:C[5a]-3:	C[5,5]-4:N[5,5a]-3:O-1:	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[5,5]O)(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]H)	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5a]C[5,5a]N[5a])(O)	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[5,5]O)(N[5a]C[5a]){1|H<1>,2|C<4>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]H){1|C<4>,1|O<1>,1|S<2>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5a]C[5,5a]N[5a])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	131.0610	0.000	1	131.0610	0.000	1	131.0610	0.000	1	131.0610	0.000	1	137.8856	14.856	5	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5]	2:2:3:	3:2:	3:2:2:	N[5a]-2:N[5a]-2:C[5]-3:	N[5a]-3:O[5a]-2:	N[5a]-3:N[5]-2:N[5]-2:	N[5a](N[5a]C[5a])(N[5a]O[5a])(C[5]N[5]2)	N[5a](N[5a]N[5a]C[5])(O[5a]C[5a])	C[5](N[5a]N[5a]2)(N[5]N[5])2	N[5a](N[5a]C[5a])(N[5a]O[5a])(C[5]N[5]2){1|O<1>,2|N<2>}	N[5a](N[5a]N[5a]C[5])(O[5a]C[5a]){1|O<1>,2|N<2>}	C[5](N[5a]N[5a]2)(N[5]N[5])2{1|C<3>,1|O<2>}	119.8870	0.000	1	119.8870	0.000	1	119.8870	0.000	1	119.8870	0.000	1	120.1961	1.541	26	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5]	2:2:3:	3:3:	3:2:2:	N[5a]-2:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5]-2:N[5]-2:	N[5a](N[5a]C[5a])(N[5a]O[5a])(C[5]N[5]2)	N[5a](N[5a]N[5a]C[5])(C[5a]O[5a]O)	C[5](N[5a]N[5a]2)(N[5]N[5])2	N[5a](N[5a]C[5a])(N[5a]O[5a])(C[5]N[5]2){1|O<1>,2|N<2>}	N[5a](N[5a]N[5a]C[5])(C[5a]O[5a]O){2|N<2>}	C[5](N[5a]N[5a]2)(N[5]N[5])2{1|C<3>,1|O<2>}	121.5300	0.000	1	121.5300	0.000	1	121.5300	0.000	1	121.5300	0.000	1	120.1961	1.541	26	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5]	3:2:3:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5]-2:N[5]-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a]C[5])(N[5a]N[5a])	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2){2|N<2>}	N[5a](N[5a]C[5a]C[5])(N[5a]N[5a]){3|N<2>}	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2{3|N<2>}	120.0430	1.676	2	120.0430	2.808	2	120.0430	2.808	2	120.0430	2.808	2	120.1961	1.541	26	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5]	3:2:3:	3:3:	3:2:2:	C[5a,5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5]-2:N[5]-2:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a,5a]C[5])(C[5a]C[5a,5a]N)	C[5](N[5a]C[5a,5a]N[5a])(N[5]N[5])2	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(C[5]N[5]2){3|N<2>,3|N<3>}	N[5a](N[5a]C[5a,5a]C[5])(C[5a]C[5a,5a]N){1|C<3>,1|N<3>,2|N<2>}	C[5](N[5a]C[5a,5a]N[5a])(N[5]N[5])2{3|C<3>}	118.5310	1.152	3	118.5310	1.326	3	118.5310	1.326	3	120.3878	2.104	12	120.1961	1.541	26	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5]	3:2:3:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5]-2:N[5]-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]N)	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]N[5]2){2|N<2>,2|N<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]N){2|N<2>,2|N<3>}	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2{1|N<3>,2|C<3>}	120.0340	0.565	3	120.0340	0.319	3	121.0068	0.837	9	120.3878	2.104	12	120.1961	1.541	26	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5]	3:2:3:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5]-2:N[5]-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N)	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2){1|N<3>,2|N<2>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N){1|N<3>,2|N<2>}	C[5](N[5a]C[5a]N[5a])(N[5]N[5])2{1|C<3>,1|N<2>,1|N<3>}	121.4932	0.600	6	121.4932	0.360	6	121.0068	0.837	9	120.3878	2.104	12	120.1961	1.541	26	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5]-3:N[5]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5](N[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(C[5]N[5]2){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|H<1>,1|S<1>,3|C<3>}	120.4700	0.000	1	120.4700	0.000	1	120.4700	0.000	1	120.4700	0.000	1	120.1961	1.541	26	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5]-3:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(C[5]C[5]2)	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]C)(C[5]N[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C){4|C<3>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	119.7710	0.000	1	119.7710	0.000	1	119.7710	0.000	1	119.8013	1.579	6	120.1961	1.541	26	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5]-3:C[5]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]C[5]2)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]N)	C[5](N[5a]C[5a]N[5a])(C[5]N[5]N)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]C[5]2){2|N<2>,4|N<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]N){2|C<3>,2|N<3>}	C[5](N[5a]C[5a]N[5a])(C[5]N[5]N)2{1|N<3>,2|C<3>}	118.9903	1.201	3	118.9903	1.441	3	119.8074	1.973	5	119.8013	1.579	6	120.1961	1.541	26	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5]-3:C[5]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]C[5]2)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N)	C[5](N[5a]C[5a]N[5a])(C[5]N[5]N)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]C[5]2){2|N<2>,3|N<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N){1|N<3>,2|C<3>}	C[5](N[5a]C[5a]N[5a])(C[5]N[5]N)2{1|C<3>,1|N<2>,1|N<3>}	121.0330	0.057	2	121.0330	0.003	2	119.8074	1.973	5	119.8013	1.579	6	120.1961	1.541	26	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5]-3:N[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[6a]N[5])(N[5]C[5,6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|N<3>,3|C<3>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[6a]N[5])(N[5]C[5,6]O){1|N<2>,2|C<4>,4|C<3>}	119.6380	0.000	1	119.6380	0.000	1	119.6380	0.000	1	119.6380	0.000	1	120.1961	1.541	26	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5]	3:3:2:	3:3:	3:4:3:	C[5a,6a]-3:C[5]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5,6]-4:C[5]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5](N[5a]C[5a,6a]N[5a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(N[5a]C[5a]){2|C<3>,3|H<1>,4|C<4>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<4>,3|C<3>}	C[5](N[5a]C[5a,6a]N[5a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|C<3>,5|H<1>}	119.3330	0.000	1	119.3330	0.000	1	119.3330	0.000	1	119.3330	0.000	1	120.1961	1.541	26	123.0493	47.006	31
813	519	818	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5]	3:3:2:	3:3:	4:3:3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5,6]-4:N[5a]-3:C[5]-3:	N[5a](C[5]C[5,6]C[5])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[5])	C[5](C[5,6]C[5,6]C[6]C)(N[5a]C[5a]N[5a])(C[5]C[5]H)	N[5a](C[5]C[5,6]C[5])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,2|C<3>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(N[5a]C[5a]N[5a])(C[5]C[5]H){2|C<3>,2|C<4>,6|H<1>}	120.6930	0.000	1	120.6930	0.000	1	120.6930	0.000	1	120.6930	0.000	1	120.1961	1.541	26	123.0493	47.006	31
813	519	849	0:SP2_SP2_SP3	N[5a]	N[5a]	P[6]	3:4:2:	3:3:	3:2:2:1:	C[5a]-3:P[6]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[6]-2:N[6]-2:O-1:	N[5a](C[5a]C[5a]C)(P[6]N[6]2O)(N[5a]C[5a])	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C)	P[6](N[5a]C[5a]N[5a])(N[6]C[6])2(O)	N[5a](C[5a]C[5a]C)(P[6]N[6]2O)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|N<2>}	P[6](N[5a]C[5a]N[5a])(N[6]C[6])2(O){1|C<4>,2|C<3>,3|N<3>}	115.5210	0.000	1	115.5210	0.000	1	115.5210	0.000	1	117.1973	2.333	3	117.9539	2.588	15	117.9539	2.588	15
813	519	849	0:SP2_SP2_SP3	N[5a]	N[5a]	P[6]	3:4:2:	3:3:	3:2:2:1:	C[5a]-3:P[6]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:O[6]-2:O[6]-2:O-1:	N[5a](C[5a]C[5a]N)(P[6]O[6]2O)(N[5a]C[5a])	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]N)	P[6](N[5a]C[5a]N[5a])(O[6]C[6])2(O)	N[5a](C[5a]C[5a]N)(P[6]O[6]2O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>}	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]N){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	P[6](N[5a]C[5a]N[5a])(O[6]C[6])2(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	118.0355	0.671	2	118.0355	0.450	2	118.0355	0.450	2	117.1973	2.333	3	117.9539	2.588	15	117.9539	2.588	15
813	519	849	0:SP2_SP2_SP3	N[5a]	N[5a]	P[6]	4:3:2:	3:3:	3:3:2:2:	P[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[6]-2:N[6]-2:	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P[6])	P[6](N[5a]C[5a]N[5a])2(N[6]P[6])2	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>,2|P<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P[6]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	P[6](N[5a]C[5a]N[5a])2(N[6]P[6])2{1|N<2>,2|H<1>,4|C<3>,4|O<2>}	118.0890	1.482	2	118.0890	2.197	2	118.0890	2.197	2	118.0940	3.246	10	117.9539	2.588	15	117.9539	2.588	15
813	519	849	0:SP2_SP2_SP3	N[5a]	N[5a]	P[6]	4:3:2:	3:3:	3:3:2:2:	P[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:N[6]-2:N[6]-2:	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C)	P[6](N[5a]C[5a]N[5a])2(N[6]C[6])2	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	P[6](N[5a]C[5a]N[5a])2(N[6]C[6])2{1|N<2>,2|C<4>,2|N<3>,4|C<3>}	118.7650	1.771	4	118.7650	3.138	4	118.0952	3.860	8	118.0940	3.246	10	117.9539	2.588	15	117.9539	2.588	15
813	519	849	0:SP2_SP2_SP3	N[5a]	N[5a]	P[6]	4:3:2:	3:3:	3:3:2:2:	P[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:N[6]-2:N[6]-2:	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C)	P[6](N[5a]C[5a]N[5a])2(N[6]P[6,6])(N[6]P[6])	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|P<4>}	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	P[6](N[5a]C[5a]N[5a])2(N[6]P[6,6])(N[6]P[6]){1|N<2>,2|C<4>,4|C<3>,4|N<3>}	117.4255	2.162	4	117.4255	4.672	4	118.0952	3.860	8	118.0940	3.246	10	117.9539	2.588	15	117.9539	2.588	15
813	519	849	0:SP2_SP2_SP3	N[5a]	N[5a]	P[6]	4:3:2:	3:3:	3:3:3:2:	P[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5]-3:N[6]-3:N[6]-2:	N[5a](P[6]N[5]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C)	P[6](N[5a]C[5a]N[5a])(N[5]C[5]N[5])(N[6]P[6]Co)(N[6]P[6])	N[5a](P[6]N[5]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|Co<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|P<4>}	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,2|N<3>}	P[6](N[5a]C[5a]N[5a])(N[5]C[5]N[5])(N[6]P[6]Co)(N[6]P[6]){1|N<2>,2|C<4>,4|C<3>,4|N<3>}	118.3885	0.251	2	118.3885	0.063	2	118.3885	0.063	2	118.3885	0.063	2	117.9539	2.588	15	117.9539	2.588	15
813	519	856	0:SP2_SP2_SP3	N[5a,6]	N[5a]	N[6]	3:2:3:	3:2:	3:4:1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a])	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H){1|C<3>,3|C<4>}	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	118.3210	0.000	1	118.3210	0.000	1	120.0233	9.613	3	120.0233	9.613	3	118.9757	5.244	6	119.6894	5.496	8
813	519	856	0:SP2_SP2_SP3	N[5a,6]	N[5a]	N[6]	3:2:3:	3:2:	3:4:1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a])	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]C)(H)	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H){2|C<3>,2|C<4>}	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]C)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	118.1470	0.000	1	118.1470	0.000	1	120.0233	9.613	3	120.0233	9.613	3	118.9757	5.244	6	119.6894	5.496	8
813	519	856	0:SP2_SP2_SP3	N[5a,6]	N[5a]	N[6]	3:2:3:	3:2:	3:4:1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-4:H-1:	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,3|H<1>}	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>}	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|N<2>}	123.6020	0.000	1	123.6020	0.000	1	120.0233	9.613	3	120.0233	9.613	3	118.9757	5.244	6	119.6894	5.496	8
813	519	856	0:SP2_SP2_SP3	N[5a,6]	N[5a]	N[6]	3:3:2:	3:2:	3:4:1:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5,6]-4:H-1:	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[5,6]H)(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a])	N[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5]2C[6])(H)	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[5,6]H)(N[5a]N[5a]){1|C<3>,3|C<4>}	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5]2C[6])(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	117.9280	0.203	3	118.9757	5.244	6	119.6894	5.496	8
813	519	856	0:SP2_SP2_SP3	N[5a,6]	N[5a]	N[6]	3:3:2:	3:2:	3:4:1:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6]-4:H-1:	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[6,6]H)(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a])	N[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3)(H)	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[6,6]H)(N[5a]N[5a]){1|C<3>,3|C<4>}	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6]3)(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	117.7330	0.423	2	117.7330	0.179	2	117.7330	0.179	2	117.9280	0.203	3	118.9757	5.244	6	119.6894	5.496	8
813	519	856	0:SP2_SP2_SP3	N[5a]	N[5a]	N[6]	3:2:3:	3:2:	3:4:4:	C[5a]-3:N[5a]-2:N[6]-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6]-4:C[6]-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(N[6]C[6]2)	N[5a](N[5a]C[5a]N[6])(N[5a]N[5a])	N[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	N[5a](N[5a]C[5a]N[6])(N[5a]N[5a]){1|C<3>,2|C<4>}	N[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|N<2>,4|H<1>}	121.8305	0.172	2	121.8305	0.030	2	121.8305	0.030	2	121.8305	0.030	2	121.8305	0.030	2	119.6894	5.496	8
813	519	863	0:SP2_SP2_SP2	N[5a]	N[5a]	O	2:2:1:	3:2:	3:	N[5a]-2:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(O)	N[5a](N[5a]N[5a]O)(N[5a]C[5a])	O(N[5a]N[5a]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(O){1|N<3>}	N[5a](N[5a]N[5a]O)(N[5a]C[5a]){1|N<3>}	O(N[5a]N[5a]2)	122.6114	0.520	7	122.6114	0.270	7	122.6114	0.270	7	122.6114	0.270	7	122.0724	0.575	86	122.0724	0.575	86
813	519	863	0:SP2_SP2_SP2	N[5a]	N[5a]	O	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:O-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(O)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]O)	O(N[5a]N[5a]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(O){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]O)	O(N[5a]N[5a]2)	122.8027	0.347	7	122.8027	0.121	7	122.8027	0.121	7	122.8027	0.121	7	122.0724	0.575	86	122.0724	0.575	86
813	519	863	0:SP2_SP2_SP2	N[5a]	N[5a]	O	3:2:1:	3:2:	3:	C[5a,5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a,5a]O)(N[5a]C[5a,5a])	O(N[5a]C[5a,5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|C<4>,1|N<2>}	N[5a](N[5a]C[5a,5a]O)(N[5a]C[5a,5a]){1|C<3>,1|N<3>}	O(N[5a]C[5a,5a]N[5a])	122.4125	0.023	2	122.4125	0.001	2	122.4125	0.001	2	122.0888	0.402	64	122.0724	0.575	86	122.0724	0.575	86
813	519	863	0:SP2_SP2_SP2	N[5a]	N[5a]	O	3:2:1:	3:2:	3:	C[5a,6a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	O(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(O){1|C<3>,1|N<2>,1|N<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	O(N[5a]C[5a,6a]N[5a])	122.3600	1.095	2	122.3600	1.198	2	122.3600	1.198	2	122.0888	0.402	64	122.0724	0.575	86	122.0724	0.575	86
813	519	863	0:SP2_SP2_SP2	N[5a]	N[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	O(N[5a]C[5a]N[5a])	121.9563	0.299	10	122.0581	0.415	53	122.0690	0.402	60	122.0888	0.402	64	122.0724	0.575	86	122.0724	0.575	86
813	519	863	0:SP2_SP2_SP2	N[5a]	N[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	O(N[5a]C[5a]N[5a])	121.9638	0.653	37	122.0581	0.415	53	122.0690	0.402	60	122.0888	0.402	64	122.0724	0.575	86	122.0724	0.575	86
813	519	863	0:SP2_SP2_SP2	N[5a]	N[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|N<2>,1|O<2>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	O(N[5a]C[5a]N[5a])	123.0164	0.285	5	122.0581	0.415	53	122.0690	0.402	60	122.0888	0.402	64	122.0724	0.575	86	122.0724	0.575	86
813	519	863	0:SP2_SP2_SP2	N[5a]	N[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){2|N<2>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	O(N[5a]C[5a]N[5a])	121.7730	0.000	1	122.0581	0.415	53	122.0690	0.402	60	122.0888	0.402	64	122.0724	0.575	86	122.0724	0.575	86
813	519	863	0:SP2_SP2_SP2	N[5a]	N[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	O(N[5a]C[5a]N[5a])	121.9207	0.642	3	122.0593	0.351	6	122.0690	0.402	60	122.0888	0.402	64	122.0724	0.575	86	122.0724	0.575	86
813	519	863	0:SP2_SP2_SP2	N[5a]	N[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(O){1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	O(N[5a]C[5a]N[5a])	122.1980	0.638	3	122.0593	0.351	6	122.0690	0.402	60	122.0888	0.402	64	122.0724	0.575	86	122.0724	0.575	86
813	519	863	0:SP2_SP2_SP2	N[5a]	N[5a]	O	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	O(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|N<2>}	O(N[5a]C[5a]N[5a])	122.7030	0.000	1	122.7030	0.000	1	122.0690	0.402	60	122.0888	0.402	64	122.0724	0.575	86	122.0724	0.575	86
813	519	863	0:SP2_SP2_SP2	N[5a]	N[5a]	O	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:O-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(O)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]O)	O(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(O){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]O){2|N<3>}	O(N[5a]C[5a]N[5a])	120.5290	0.000	3	120.5290	0.000	3	120.8300	0.444	8	120.8300	0.444	8	122.0724	0.575	86	122.0724	0.575	86
813	519	863	0:SP2_SP2_SP2	N[5a]	N[5a]	O	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:O-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]O)	O(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O){1|N<2>,2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]O){1|C<3>}	O(N[5a]C[5a]N[5a])	121.0106	0.818	5	121.0106	0.668	5	120.8300	0.444	8	120.8300	0.444	8	122.0724	0.575	86	122.0724	0.575	86
813	519	874	0:SP2_SP2_SP3	N[5a]	N[5a]	B[6]	4:3:2:	3:3:	3:3:3:1:	B[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5,6]-3:N[5,6]-3:N[5a]-3:H-1:	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B[6])	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H)	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B[6]){2|C<3>,2|N<3>,3|H<1>}	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H){1|B<4>,2|H<1>,7|C<3>}	122.8805	1.702	2	122.8805	2.897	2	122.8805	2.897	2	121.6568	7.030	4	120.3662	5.944	10	120.3662	5.944	10
813	519	874	0:SP2_SP2_SP3	N[5a]	N[5a]	B[6]	4:3:2:	3:3:	3:3:3:1:	B[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5,6]-3:N[5,6]-3:N[5a]-3:H-1:	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H)	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H){2|N<3>,3|H<1>}	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(H){1|B<4>,3|H<1>,6|C<3>}	120.4330	3.493	2	120.4330	12.202	2	120.4330	12.202	2	121.6568	7.030	4	120.3662	5.944	10	120.3662	5.944	10
813	519	874	0:SP2_SP2_SP3	N[5a]	N[5a]	B[6]	4:3:2:	3:3:	3:3:3:2:	B[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5,6]-3:N[5,6]-3:N[5a]-3:O-2:	N[5a](B[6]N[5,6]2O)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(OB[6])	N[5a](B[6]N[5,6]2O)(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H){1|O<2>,2|H<1>,2|N<3>}	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(OB[6]){1|B<4>,3|H<1>,6|C<3>}	120.7760	0.741	2	120.7760	0.549	2	120.7760	0.549	2	120.7760	0.549	2	120.3662	5.944	10	120.3662	5.944	10
813	519	874	0:SP2_SP2_SP3	N[5a]	N[5a]	B[6]	4:3:2:	3:3:	3:3:3:3:	B[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H)	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])2	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H){2|H<1>,3|N<3>}	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])2{1|B<4>,4|H<1>,8|C<3>}	118.8708	2.303	4	118.8708	5.306	4	118.8708	5.306	4	118.8708	5.306	4	120.3662	5.944	10	120.3662	5.944	10
813	519	880	0:SP2_SP2_SP3	N[5a]	N[5a]	Si	2:2:4:	3:2:	3:4:4:4:	N[5a]-2:N[5a]-2:Si-4:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:C-4:C-4:	N[5a](N[5a]C[5a])(N[5a]N[5a])(SiC3)	N[5a](N[5a]N[5a]Si)(N[5a]C[5a])	Si(N[5a]N[5a]2)(CH3)3	N[5a](N[5a]C[5a])(N[5a]N[5a])(SiC3){1|C<3>}	N[5a](N[5a]N[5a]Si)(N[5a]C[5a]){1|C<3>}	Si(N[5a]N[5a]2)(CH3)3	125.1895	1.220	2	125.1895	1.488	2	125.1895	1.488	2	125.1895	1.488	2	118.4014	20.695	25	118.4014	20.695	25
813	519	880	0:SP2_SP2_SP3	N[5a]	N[5a]	Si	2:2:4:	3:3:	3:4:4:4:	N[5a]-2:N[5a]-2:Si-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:C-4:C-4:	N[5a](N[5a]C[5a])(N[5a]N[5a])(SiC3)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]Si)	Si(N[5a]N[5a]2)(CH3)3	N[5a](N[5a]C[5a])(N[5a]N[5a])(SiC3){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]Si){2|N<2>}	Si(N[5a]N[5a]2)(CH3)3	123.0525	1.771	2	123.0525	3.138	2	123.0525	3.138	2	123.0525	3.138	2	118.4014	20.695	25	118.4014	20.695	25
813	519	880	0:SP2_SP2_SP3	N[5a]	N[5a]	Si	3:2:4:	3:2:	3:4:4:4:	C[5a]-3:N[5a]-2:Si-4:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:C-4:C-4:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(SiC3)	N[5a](N[5a]C[5a]Si)(N[5a]N[5a])	Si(N[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(SiC3)	N[5a](N[5a]C[5a]Si)(N[5a]N[5a]){1|H<1>}	Si(N[5a]C[5a]N[5a])(CH3)3	121.8890	0.000	1	121.8890	0.000	1	121.8890	0.000	1	121.8890	0.000	1	118.4014	20.695	25	118.4014	20.695	25
813	519	880	0:SP2_SP2_SP3	N[5a]	N[5a]	Si	3:2:4:	3:3:	3:3:3:3:	C[5a]-3:N[5a]-2:Si-4:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiN[5a]3)	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C)	Si(N[5a]C[5a]N[5a])4	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiN[5a]3){1|C<4>,1|H<1>}	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C){1|C<4>,1|H<1>}	Si(N[5a]C[5a]N[5a])4	118.7422	1.338	16	118.7422	1.789	16	118.7422	1.789	16	118.7422	1.789	16	118.4014	20.695	25	118.4014	20.695	25
813	519	880	0:SP2_SP2_SP3	N[5a]	N[5a]	Si	3:2:4:	3:3:	3:4:4:4:	C[5a]-3:N[5a]-2:Si-4:	N[5a]-3:C[5a]-3:	N[5a]-3:C-4:C-4:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiC3)	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C)	Si(N[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiC3){1|C<4>,1|H<1>}	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C){1|C<4>,1|H<1>}	Si(N[5a]C[5a]N[5a])(CH3)3	115.2980	0.000	1	115.2980	0.000	1	112.4963	6.110	3	112.4963	6.110	3	118.4014	20.695	25	118.4014	20.695	25
813	519	880	0:SP2_SP2_SP3	N[5a]	N[5a]	Si	3:2:4:	3:3:	3:4:4:4:	C[5a]-3:N[5a]-2:Si-4:	N[5a]-3:C[5a]-3:	N[5a]-3:C-4:C-4:C-4:	N[5a](C[5a]C[5a]Si)(N[5a]C[5a])(SiC3)	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]N)	Si(N[5a]C[5a]N[5a])(CH3)3	N[5a](C[5a]C[5a]Si)(N[5a]C[5a])(SiC3){1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]N){1|Si<4>,1|N<2>}	Si(N[5a]C[5a]N[5a])(CH3)3	111.0955	0.668	2	111.0955	0.447	2	112.4963	6.110	3	112.4963	6.110	3	118.4014	20.695	25	118.4014	20.695	25
813	519	880	0:SP2_SP2_SP3	N[5a]	N[5a]	Si	3:4:2:	3:3:	3:4:3:3:	C[5a]-3:Si-4:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:Si-4:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C)(SiC[6a]2Si)(N[5a]C[5a])	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C)	Si(N[5a]C[5a]N[5a])(SiC[6a]2N[5a])(C[6a]C[6a]2)2	N[5a](C[5a]C[5a]C)(SiC[6a]2Si)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C){1|C<4>,1|H<1>}	Si(N[5a]C[5a]N[5a])(SiC[6a]2N[5a])(C[6a]C[6a]2)2	104.2970	0.000	1	104.2970	0.000	1	104.2970	0.000	1	104.2970	0.000	1	118.4014	20.695	25	118.4014	20.695	25
813	519	893	0:SP2_SP2_SP2	N[5a]	N[5a]	O	3:2:2:	3:2:	3:3:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC)	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	O(N[5a]C[5a,6a]N[5a])(CC[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){2|C<3>}	O(N[5a]C[5a,6a]N[5a])(CC[5]O)	119.2270	0.000	1	119.2270	0.000	1	119.3330	0.045	3	119.1252	0.225	6	119.1252	0.225	6	119.1252	0.225	6
813	519	893	0:SP2_SP2_SP2	N[5a]	N[5a]	O	3:2:2:	3:2:	3:3:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC)	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	O(N[5a]C[5a,6a]N[5a])(CC[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){2|C<3>}	O(N[5a]C[5a,6a]N[5a])(CC[6]O)	119.5760	0.000	1	119.5760	0.000	1	119.3330	0.045	3	119.1252	0.225	6	119.1252	0.225	6	119.1252	0.225	6
813	519	893	0:SP2_SP2_SP2	N[5a]	N[5a]	O	3:2:2:	3:2:	3:3:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC)	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	O(N[5a]C[5a,6a]N[5a])(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){2|C<3>}	O(N[5a]C[5a,6a]N[5a])(CC[6a]O)	119.1960	0.000	1	119.1960	0.000	1	119.3330	0.045	3	119.1252	0.225	6	119.1252	0.225	6	119.1252	0.225	6
813	519	893	0:SP2_SP2_SP2	N[5a]	N[5a]	O	3:2:2:	3:2:	3:3:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[6a])	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	O(N[5a]C[5a,6a]N[5a])(C[6a]N[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[6a]){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){2|C<3>}	O(N[5a]C[5a,6a]N[5a])(C[6a]N[6a]2)	118.3100	0.000	1	118.3100	0.000	1	118.9173	0.388	3	119.1252	0.225	6	119.1252	0.225	6	119.1252	0.225	6
813	519	893	0:SP2_SP2_SP2	N[5a]	N[5a]	O	3:2:2:	3:2:	3:3:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(OC[6a])	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	O(N[5a]C[5a,6a]N[5a])(C[6a]N[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(OC[6a]){2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	O(N[5a]C[5a,6a]N[5a])(C[6a]N[6a]2)	119.2210	0.472	2	119.2210	0.223	2	118.9173	0.388	3	119.1252	0.225	6	119.1252	0.225	6	119.1252	0.225	6
813	519	893	0:SP2_SP2_SP3	N[5a]	N[5a]	O	2:2:2:	3:2:	3:1:	N[5a]-2:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:	N[5a](N[5a]C[5a])(N[5a]N[5a])(OH)	N[5a](N[5a]N[5a]O)(N[5a]C[5a])	O(N[5a]N[5a]2)(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(OH){1|N<3>}	N[5a](N[5a]N[5a]O)(N[5a]C[5a]){1|N<3>}	O(N[5a]N[5a]2)(H)	122.0310	0.000	1	122.0310	0.000	1	122.0310	0.000	1	122.0310	0.000	1	121.2973	1.359	45	121.2973	1.359	45
813	519	893	0:SP2_SP2_SP3	N[5a]	N[5a]	O	2:2:2:	3:3:	3:1:	N[5a]-2:N[5a]-2:O-2:	C[5a]-3:N[5a]-3:	N[5a]-3:H-1:	N[5a](N[5a]C[5a])(N[5a]N[5a])(OH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]O)	O(N[5a]N[5a]2)(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(OH){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]O)	O(N[5a]N[5a]2)(H)	121.4070	0.000	1	121.4070	0.000	1	121.4070	0.000	1	121.4070	0.000	1	121.2973	1.359	45	121.2973	1.359	45
813	519	893	0:SP2_SP2_SP3	N[5a]	N[5a]	O	3:2:2:	3:2:	3:1:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	O(N[5a]C[5a,6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){2|C<3>}	O(N[5a]C[5a,6a]N[5a])(H)	120.7340	0.000	1	120.7340	0.000	1	120.4327	0.189	3	121.8610	1.085	21	121.2973	1.359	45	121.2973	1.359	45
813	519	893	0:SP2_SP2_SP3	N[5a]	N[5a]	O	3:2:2:	3:2:	3:1:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	O(N[5a]C[5a,6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(OH){2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	O(N[5a]C[5a,6a]N[5a])(H)	120.2820	0.491	2	120.2820	0.241	2	120.4327	0.189	3	121.8610	1.085	21	121.2973	1.359	45	121.2973	1.359	45
813	519	893	0:SP2_SP2_SP3	N[5a]	N[5a]	O	3:2:2:	3:2:	3:1:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	O(N[5a]C[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	O(N[5a]C[5a]N[5a])(H)	121.2495	1.446	2	122.0884	0.885	17	122.0990	0.835	18	121.8610	1.085	21	121.2973	1.359	45	121.2973	1.359	45
813	519	893	0:SP2_SP2_SP3	N[5a]	N[5a]	O	3:2:2:	3:2:	3:1:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	O(N[5a]C[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	O(N[5a]C[5a]N[5a])(H)	122.1632	0.885	14	122.0884	0.885	17	122.0990	0.835	18	121.8610	1.085	21	121.2973	1.359	45	121.2973	1.359	45
813	519	893	0:SP2_SP2_SP3	N[5a]	N[5a]	O	3:2:2:	3:2:	3:1:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	O(N[5a]C[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){2|N<2>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	O(N[5a]C[5a]N[5a])(H)	122.7190	0.000	1	122.0884	0.885	17	122.0990	0.835	18	121.8610	1.085	21	121.2973	1.359	45	121.2973	1.359	45
813	519	893	0:SP2_SP2_SP3	N[5a]	N[5a]	O	3:2:2:	3:2:	3:1:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	O(N[5a]C[5a]N[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|N<2>}	O(N[5a]C[5a]N[5a])(H)	122.2790	0.000	1	122.2790	0.000	1	122.0990	0.835	18	121.8610	1.085	21	121.2973	1.359	45	121.2973	1.359	45
813	519	893	0:SP2_SP2_SP3	N[5a]	N[5a]	O	3:2:2:	3:2:	3:4:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC)	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	O(N[5a]C[5a,6a]N[5a])(CC[6a]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){2|C<3>}	O(N[5a]C[5a,6a]N[5a])(CC[6a]C[5]H)	120.9710	0.000	1	120.9710	0.000	1	119.9752	0.798	6	120.7209	1.122	22	121.2973	1.359	45	121.2973	1.359	45
813	519	893	0:SP2_SP2_SP3	N[5a]	N[5a]	O	3:2:2:	3:2:	3:4:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC)	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	O(N[5a]C[5a,6a]N[5a])(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){2|C<3>}	O(N[5a]C[5a,6a]N[5a])(CC[6a]HH)	120.2083	0.042	3	120.2083	0.002	3	119.9752	0.798	6	120.7209	1.122	22	121.2973	1.359	45	121.2973	1.359	45
813	519	893	0:SP2_SP2_SP3	N[5a]	N[5a]	O	3:2:2:	3:2:	3:4:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC)	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	O(N[5a]C[5a,6a]N[5a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){2|C<3>}	O(N[5a]C[5a,6a]N[5a])(CHHO)	119.1275	1.180	2	119.1275	1.393	2	119.9752	0.798	6	120.7209	1.122	22	121.2973	1.359	45	121.2973	1.359	45
813	519	893	0:SP2_SP2_SP3	N[5a]	N[5a]	O	3:2:2:	3:2:	3:4:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[4]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[4])	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	O(N[5a]C[5a,6a]N[5a])(C[4]C[4]2C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[4]){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){2|C<3>}	O(N[5a]C[5a,6a]N[5a])(C[4]C[4]2C)	121.0490	0.000	1	121.0490	0.000	1	121.0490	0.000	1	120.7209	1.122	22	121.2973	1.359	45	121.2973	1.359	45
813	519	893	0:SP2_SP2_SP3	N[5a]	N[5a]	O	3:2:2:	3:2:	3:4:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(OC)	N[5a](N[5a]C[5a]O)(N[5a]C[5a])	O(N[5a]C[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(OC){1|C<3>}	N[5a](N[5a]C[5a]O)(N[5a]C[5a]){1|C<3>,1|C<4>}	O(N[5a]C[5a]N[5a])(CH3)	118.1150	0.000	1	118.1150	0.000	1	121.0834	1.033	14	120.7209	1.122	22	121.2973	1.359	45	121.2973	1.359	45
813	519	893	0:SP2_SP2_SP3	N[5a]	N[5a]	O	3:2:2:	3:2:	3:4:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OC)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	O(N[5a]C[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OC)	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|N<2>}	O(N[5a]C[5a]N[5a])(CCHH)	121.1410	0.769	4	121.1410	0.591	4	121.0834	1.033	14	120.7209	1.122	22	121.2973	1.359	45	121.2973	1.359	45
813	519	893	0:SP2_SP2_SP3	N[5a]	N[5a]	O	3:2:2:	3:2:	3:4:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OC)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	O(N[5a]C[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OC)	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|N<2>}	O(N[5a]C[5a]N[5a])(CH3)	121.3877	0.499	9	121.3877	0.249	9	121.0834	1.033	14	120.7209	1.122	22	121.2973	1.359	45	121.2973	1.359	45
813	519	893	0:SP2_SP2_SP3	N[5a]	N[5a]	O	3:2:2:	3:2:	3:4:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]O[5a])(OC)	N[5a](N[5a]C[5a]O)(O[5a]C[5a])	O(N[5a]C[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]O[5a])(OC){1|O<1>}	N[5a](N[5a]C[5a]O)(O[5a]C[5a]){1|C<3>,1|O<1>}	O(N[5a]C[5a]N[5a])(CH3)	119.7910	0.000	1	119.7910	0.000	1	119.7910	0.000	1	120.7209	1.122	22	121.2973	1.359	45	121.2973	1.359	45
813	519	914	0:SP2_SP2_SP2	N[5a,6]	N[5a]	N[6]	3:2:2:	3:2:	3:3:	C[5a,6]-3:N[6]-2:N[5a]-2:	N[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a,6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])	N[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6])(N[5a]N[5a]){2|C<3>}	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a]){1|C<3>,1|N<2>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a,6]C[5a,6]N[5a]){1|N<3>,2|C<3>,3|N<2>}	123.0510	0.000	1	123.0510	0.000	1	123.0510	0.000	1	123.0510	0.000	1	123.0510	0.000	1	123.0510	0.000	1
813	519	928	0:SP2_SP2_SPD6	N[5,5a]	N[5a]	Si[5,5]	6:3:2:	3:2:	3:3:3:3:2:2:	Si[5,5]-6:C[5,5a]-3:N[5a]-2:	N[5,5a]-3:N[5a]-2:	N[5,5a]-3:N[5,5a]-3:N[5,6]-3:N[5,6]-3:N-2:N-2:	N[5,5a](Si[5,5]N[5,5a]N[5,6]2NN)(C[5,5a]C[5,6]N[5a])(N[5a]N[5a])	N[5a](N[5,5a]C[5,5a]Si[5,5])(N[5a]N[5a])	Si[5,5](N[5,5a]C[5,5a]N[5a])2(N[5,6]C[5,6]C[6])2(NN)2	N[5,5a](Si[5,5]N[5,5a]N[5,6]2NN)(C[5,5a]C[5,6]N[5a])(N[5a]N[5a]){1|N<2>,5|C<3>}	N[5a](N[5,5a]C[5,5a]Si[5,5])(N[5a]N[5a]){1|C<3>,2|N<2>,3|N<3>}	Si[5,5](N[5,5a]C[5,5a]N[5a])2(N[5,6]C[5,6]C[6])2(NN)2{2|H<1>,4|C<3>,4|N<2>}	136.4560	0.000	1	136.4560	0.000	1	136.4560	0.000	1	136.4560	0.000	1	136.4560	0.000	1	124.6911	12.075	18
813	519	928	0:SP2_SP2_SPD6	N[5a]	N[5a]	Si[5]	6:2:2:	3:2:	3:3:3:3:2:2:	Si[5]-6:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a])	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a]){1|C<3>,2|N<2>,3|N<3>}	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	123.4460	0.495	2	123.4460	0.245	2	122.8638	0.539	6	122.6855	0.498	8	123.9990	3.670	17	124.6911	12.075	18
813	519	928	0:SP2_SP2_SPD6	N[5a]	N[5a]	Si[5]	6:2:2:	3:2:	3:3:3:3:2:2:	Si[5]-6:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a])	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|N<2>,5|C<3>}	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a]){1|C<4>,2|N<2>,3|N<3>}	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2{1|C<4>,2|H<1>,3|N<2>,5|C<3>}	121.8950	0.000	1	121.8950	0.000	1	122.8638	0.539	6	122.6855	0.498	8	123.9990	3.670	17	124.6911	12.075	18
813	519	928	0:SP2_SP2_SPD6	N[5a]	N[5a]	Si[5]	6:2:2:	3:2:	3:3:3:3:2:2:	Si[5]-6:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a])	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|N<2>,4|C<3>}	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a]){1|C<4>,2|N<2>,3|N<3>}	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	123.5300	0.000	1	122.7987	0.409	3	122.8638	0.539	6	122.6855	0.498	8	123.9990	3.670	17	124.6911	12.075	18
813	519	928	0:SP2_SP2_SPD6	N[5a]	N[5a]	Si[5]	6:2:2:	3:2:	3:3:3:3:2:2:	Si[5]-6:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a])	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a]){1|C<3>,2|N<2>,3|N<3>}	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	122.4330	0.127	2	122.7987	0.409	3	122.8638	0.539	6	122.6855	0.498	8	123.9990	3.670	17	124.6911	12.075	18
813	519	928	0:SP2_SP2_SPD6	N[5a]	N[5a]	Si[5]	6:2:2:	3:2:	3:3:3:3:2:2:	Si[5]-6:N[5a]-2:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5,6a]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a])	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	N[5a](N[5a]N[5a]Si[5])(N[5a]C[5a]){1|C<3>,2|N<2>,3|N<3>}	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	122.1505	0.173	2	122.1505	0.030	2	122.1505	0.030	2	122.6855	0.498	8	123.9990	3.670	17	124.6911	12.075	18
813	519	928	0:SP2_SP2_SPD6	N[5a]	N[5a]	Si[5]	6:2:2:	3:3:	3:3:3:3:2:2:	Si[5]-6:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5])	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5]){2|C<3>,2|N<2>,3|N<3>}	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	124.9270	0.803	2	124.9270	0.645	2	125.6393	0.893	4	125.7562	0.588	8	123.9990	3.670	17	124.6911	12.075	18
813	519	928	0:SP2_SP2_SPD6	N[5a]	N[5a]	Si[5]	6:2:2:	3:3:	3:3:3:3:2:2:	Si[5]-6:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5])	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5]){2|C<3>,2|N<2>,3|N<3>}	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	126.3515	0.076	2	126.3515	0.006	2	125.6393	0.893	4	125.7562	0.588	8	123.9990	3.670	17	124.6911	12.075	18
813	519	928	0:SP2_SP2_SPD6	N[5a]	N[5a]	Si[5]	6:2:2:	3:3:	3:3:3:3:2:2:	Si[5]-6:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5,6a]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5])	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5]){2|C<3>,2|N<2>,3|N<3>}	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	126.0580	0.188	2	126.0580	0.035	2	126.0580	0.035	2	125.7562	0.588	8	123.9990	3.670	17	124.6911	12.075	18
813	519	928	0:SP2_SP2_SPD6	N[5a]	N[5a]	Si[5]	6:2:2:	3:3:	3:3:3:3:2:2:	Si[5]-6:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]N[5a]Si[5])(C[5a]N[5a]C)	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|N<2>,5|C<3>}	N[5a](N[5a]N[5a]Si[5])(C[5a]N[5a]C){2|N<2>,3|N<3>}	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2{1|C<4>,2|H<1>,3|N<2>,5|C<3>}	126.4490	0.000	1	126.4490	0.000	1	125.6885	1.157	2	125.7562	0.588	8	123.9990	3.670	17	124.6911	12.075	18
813	519	928	0:SP2_SP2_SPD6	N[5a]	N[5a]	Si[5]	6:2:2:	3:3:	3:3:3:3:2:2:	Si[5]-6:N[5a]-2:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]N[5a]Si[5])(C[5a]N[5a]C)	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|N<2>,4|C<3>}	N[5a](N[5a]N[5a]Si[5])(C[5a]N[5a]C){2|N<2>,3|N<3>}	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	124.9280	0.000	1	124.9280	0.000	1	125.6885	1.157	2	125.7562	0.588	8	123.9990	3.670	17	124.6911	12.075	18
813	519	928	0:SP2_SP2_SPD6	N[5a]	N[5a]	Si[5]	6:3:2:	3:2:	3:3:3:3:2:2:	Si[5]-6:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N[5a](Si[5]N[5,6]2N[5a]NN)(C[5a]N[5a]C)(N[5a]N[5a])	N[5a](N[5a]C[5a]Si[5])(N[5a]N[5a])	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(C[5a]N[5a]C)(N[5a]N[5a]){2|N<2>,4|C<3>}	N[5a](N[5a]C[5a]Si[5])(N[5a]N[5a]){1|C<4>,2|N<2>,3|N<3>}	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2{1|C<4>,2|H<1>,3|N<2>,5|C<3>}	120.4490	0.000	1	120.4490	0.000	1	120.4490	0.000	1	120.4490	0.000	1	123.9990	3.670	17	124.6911	12.075	18
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	2:2:3:	3:2:	3:3:3:	N[5a]-2:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N-3:N-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CNN)	N[5a](N[5a]N[5a]C)(N[5a]C[5a])	C(N[5a]N[5a]2)(NOO)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CNN){1|N<3>}	N[5a](N[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	C(N[5a]N[5a]2)(NOO)2	122.1547	0.160	3	122.1547	0.026	3	122.1547	0.026	3	122.1547	0.026	3	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	2:2:3:	3:3:	3:2:1:	N[5a]-2:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C-2:H-1:	N[5a](N[5a]C[5a,6a])2(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C(N[5a]N[5a]2)(CC)(H)	N[5a](N[5a]C[5a,6a])2(CCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C(N[5a]N[5a]2)(CC)(H)	121.1600	2.482	2	121.1600	6.160	2	121.1600	6.160	2	121.1600	6.160	2	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:C-3:	N[5a](N[5a]C[5a,6a])2(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[3]I)	N[5a](N[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[3]I)	121.1010	0.946	2	121.1010	0.895	2	121.4222	3.371	10	121.8189	3.307	15	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:C-3:	N[5a](N[5a]C[5a,6a])2(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[6a]I)	N[5a](N[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[6a]I)	121.5348	1.692	4	121.5348	2.864	4	121.4222	3.371	10	121.8189	3.307	15	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:C-3:	N[5a](N[5a]C[5a,6a])2(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CHI)	N[5a](N[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CHI)	121.8625	1.593	2	121.8625	2.538	2	121.4222	3.371	10	121.8189	3.307	15	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:C-3:	N[5a](N[5a]C[5a,6a])2(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSiI)	N[5a](N[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSiI)	121.0780	4.175	2	121.0780	17.429	2	121.4222	3.371	10	121.8189	3.307	15	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C-3:C-3:	N[5a](N[5a]C[5a,6a])2(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C(N[5a]N[5a]2)(CC[6a]H)(COO)	N[5a](N[5a]C[5a,6a])2(CCC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C(N[5a]N[5a]2)(CC[6a]H)(COO)	121.1655	1.948	2	121.1655	3.795	2	121.1655	3.795	2	121.8189	3.307	15	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	2:2:3:	3:3:	3:3:3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:N-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(CNN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C(N[5a]N[5a]2)(NOO)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CNN){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C(N[5a]N[5a]2)(NOO)2	123.5770	0.485	3	123.5770	0.235	3	123.5770	0.235	3	121.8189	3.307	15	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	2:2:3:	3:3:	3:4:1:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](N[5a]C[5a])2(CCO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	C(N[5a]N[5a]2)(CH3)(O)	N[5a](N[5a]C[5a])2(CCO){2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|C<3>}	C(N[5a]N[5a]2)(CH3)(O)	122.6790	0.000	1	122.6790	0.000	1	122.4725	0.085	2	122.4725	0.085	2	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	2:2:3:	3:3:	3:4:1:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](N[5a]C[5a])2(CCO)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C(N[5a]N[5a]2)(CH3)(O)	N[5a](N[5a]C[5a])2(CCO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){3|C<3>}	C(N[5a]N[5a]2)(CH3)(O)	122.2660	0.000	1	122.2660	0.000	1	122.4725	0.085	2	122.4725	0.085	2	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	2:2:3:	3:3:	4:3:4:	N[5a]-2:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-3:	C[5]-4:N[5a]-3:C-4:	N[5a](N[5a]C[5a,6a])2(CC[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C(C[5]C[5]2Fe)(N[5a]N[5a]2)(CH3)	N[5a](N[5a]C[5a,6a])2(CC[5]C){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C(C[5]C[5]2Fe)(N[5a]N[5a]2)(CH3)	121.6540	2.042	2	121.6540	4.170	2	121.6540	4.170	2	121.6540	4.170	2	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:1:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(H)2	120.1860	0.000	1	120.1860	0.000	1	120.1860	0.000	1	120.1860	0.000	1	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:2:1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(CC)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC)(H)	118.7400	0.000	1	118.7400	0.000	1	118.7400	0.000	1	120.3484	13.566	14	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:2:1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:O-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(OC)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(OC)(O)	122.1960	0.000	1	122.1960	0.000	1	122.1960	0.000	1	120.3484	13.566	14	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:2:1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:O-2:S-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COS)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(OC)(S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COS){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(OC)(S)	119.8330	0.000	1	119.8330	0.000	1	119.8400	0.000	2	120.3484	13.566	14	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:2:1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:O-2:S-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COS)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(OC[6a])(S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COS){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(OC[6a])(S)	119.8470	0.000	1	119.8470	0.000	1	119.8400	0.000	2	120.3484	13.566	14	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:O-2:O-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(OC)(O)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(OC)(O)	119.8960	0.000	1	119.8960	0.000	1	120.4262	18.865	10	120.3484	13.566	14	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:O-2:O-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(OC[6a])(O)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(OC[6a])(O)	124.0920	0.000	1	124.0920	0.000	1	120.4262	18.865	10	120.3484	13.566	14	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:O-2:O-1:	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(COO)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C(N[5a]C[5a]N[5a])(OC)(O)	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(COO){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|O<1>}	C(N[5a]C[5a]N[5a])(OC)(O)	120.0343	4.703	8	120.0343	22.119	8	120.4262	18.865	10	120.3484	13.566	14	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]O)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]O){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(O)	123.2975	0.059	2	123.2975	0.003	2	123.2975	0.003	2	122.3220	3.032	12	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(NHO)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(NHO)(O)	121.2065	0.180	2	121.2065	0.033	2	121.2065	0.033	2	122.3220	3.032	12	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N-3:S-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNS)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(NCC)(S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNS){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(NCC)(S)	120.0690	0.000	1	120.0690	0.000	1	120.0690	0.000	1	122.3220	3.032	12	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N[6]-3:S-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]S)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]S){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(S)	120.8390	0.000	1	120.8390	0.000	1	120.8390	0.000	1	122.3220	3.032	12	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-3:H-1:	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C(N[5a]C[5a]N[5a])(CC[6a]H)(H)	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCH){2|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>}	C(N[5a]C[5a]N[5a])(CC[6a]H)(H)	120.2770	0.000	1	120.2770	0.000	1	120.2770	0.000	1	122.3220	3.032	12	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:O-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]O)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]O){1|H<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	120.9170	0.000	1	120.9170	0.000	1	120.9170	0.000	1	122.3220	3.032	12	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N[6]-3:O-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(O)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(O)	124.4757	0.532	3	124.1885	0.518	4	124.1885	0.518	4	122.3220	3.032	12	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N[6]-3:O-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(O)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(O)	123.3270	0.000	1	124.1885	0.518	4	124.1885	0.518	4	122.3220	3.032	12	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	120.5950	0.000	1	120.5950	0.000	1	120.5950	0.000	1	120.5950	0.000	1	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCC)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(CCN)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCC){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCN)(COO)	121.3870	0.000	1	121.3870	0.000	1	121.1646	0.260	8	120.6077	1.065	14	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCC)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(CC[6a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCC){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC[6a]H)(COO)	121.1792	0.598	4	121.1792	0.358	4	121.1646	0.260	8	120.6077	1.065	14	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCC)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCC){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CCC)	120.6590	0.000	1	120.6590	0.000	1	121.1646	0.260	8	120.6077	1.065	14	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCC)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CNS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCC){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CNS)	121.2770	0.645	2	121.2770	0.416	2	121.1646	0.260	8	120.6077	1.065	14	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]C)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]C){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCC)	119.9185	0.739	2	119.9185	0.546	2	119.9185	0.546	2	120.6077	1.065	14	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]C)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CBrI)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]C){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CBrI)	121.0350	0.000	1	121.0350	0.000	1	119.8385	1.895	4	120.6077	1.065	14	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C){3|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHH)	117.8900	0.000	1	117.8900	0.000	1	119.8385	1.895	4	120.6077	1.065	14	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C-3:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCI)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C){2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCI)	120.2145	0.416	2	120.2145	0.173	2	119.8385	1.895	4	120.6077	1.065	14	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:4:1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(CBrHH)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CBrHH)(O)	120.8340	0.000	1	120.8340	0.000	1	121.5958	1.127	6	120.8869	2.621	8	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:4:1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(CC[6a]CO)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC[6a]CO)(O)	123.2510	0.000	1	123.2510	0.000	1	121.5958	1.127	6	120.8869	2.621	8	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:4:1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(O)	122.5920	0.000	1	122.5920	0.000	1	121.5958	1.127	6	120.8869	2.621	8	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:4:1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(CClHH)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CClHH)(O)	120.8010	0.000	1	120.8010	0.000	1	121.5958	1.127	6	120.8869	2.621	8	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:4:1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(CH3)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CH3)(O)	121.0485	0.299	2	121.0485	0.089	2	121.5958	1.127	6	120.8869	2.621	8	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:4:1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:S-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCS)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(CCHN)(S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCS){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHN)(S)	119.3310	0.000	1	119.3310	0.000	1	119.3310	0.000	1	120.8869	2.621	8	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:F-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCF)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(CFFH)(F)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCF){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CFFH)(F)	118.1890	0.000	1	118.1890	0.000	1	118.1890	0.000	1	120.8869	2.621	8	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:4:2:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:Si-4:C-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CSiC)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C(N[5a]C[5a,6a]N[5a])(SiC3)(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CSiC){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(SiC3)(CC)	118.4437	0.369	6	118.4437	0.136	6	118.4437	0.136	6	118.4437	0.136	6	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:4:3:	C[5a,6]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:C-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CCC)	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])	C(N[5a]C[5a,6]N[5a])(CHHO)(CHH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CCC){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]){1|C<3>,1|C<4>}	C(N[5a]C[5a,6]N[5a])(CHHO)(CHH)	119.5390	0.000	1	119.5390	0.000	1	119.5390	0.000	1	119.9965	0.419	2	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:2:	3:4:3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:C-3:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCC)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(CCHH)(CHH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCC){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(CHH)	120.4540	0.000	1	120.4540	0.000	1	120.4540	0.000	1	119.9965	0.419	2	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:2:1:	C[5,5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:O-2:O-1:	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(COO)	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C)	C(N[5a]C[5,5a]N[5a])(OC)(O)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(COO){1|C<4>,2|H<1>,2|N<3>}	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C){2|C<4>}	C(N[5a]C[5,5a]N[5a])(OC)(O)	120.7830	0.011	2	120.7830	0.000	2	120.7830	0.000	2	121.3432	3.138	6	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:O-2:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C(N[5a]C[5a,6a]N[5a])(OC)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(OC)(O)	121.5370	0.000	1	121.5370	0.000	1	121.5370	0.000	1	121.3432	3.138	6	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:O-2:O-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(OC)(O)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C){3|C<3>}	C(N[5a]C[5a]N[5a])(OC)(O)	121.3880	0.000	1	121.3880	0.000	1	121.6520	7.369	3	121.3432	3.138	6	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:O-2:O-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(COO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(OC)(O)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(COO){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C(N[5a]C[5a]N[5a])(OC)(O)	124.4890	0.000	1	124.4890	0.000	1	121.6520	7.369	3	121.3432	3.138	6	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:O-2:O-1:	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(COO)	N[5a](C[5a]S[5a]S)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(OC)(O)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(COO){1|S<2>}	N[5a](C[5a]S[5a]S)(N[5a]C[5a]C){1|O<1>}	C(N[5a]C[5a]N[5a])(OC)(O)	119.0790	0.000	1	119.0790	0.000	1	121.6520	7.369	3	121.3432	3.138	6	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-2:N-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NC)(NH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(NC)(NH)	119.6720	0.020	2	119.6720	0.000	2	119.6720	0.000	2	120.5053	2.084	3	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:S-2:S-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CSS)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(SAg)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CSS){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(SAg)2	122.1720	0.000	1	122.1720	0.000	1	122.1720	0.000	1	120.5053	2.084	3	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:2:4:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C(N[5a]C[5a,6a]N[5a])(NC[6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCN){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(NC[6a])(CH3)	119.0100	0.000	1	119.0100	0.000	1	119.0100	0.000	1	119.0100	0.000	1	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a,6]S)(N[5a]C[5a,6]C)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(O)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](C[5a]C[5a,6]S)(N[5a]C[5a,6]C){1|C<3>,1|C<4>}	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(O)	121.9475	0.204	2	121.9475	0.042	2	121.9475	0.042	2	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O)	121.0250	0.000	1	121.0250	0.000	1	121.0250	0.000	1	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C(N[5a]C[5a,6a]N[5a])(CN[5a]O)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CN[5a]O)(O)	118.5580	0.198	2	118.5580	0.039	2	118.5580	0.039	2	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(O)	121.5900	0.000	1	121.5900	0.000	1	121.5900	0.000	1	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:S-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNS)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNS){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(S)	118.8570	0.000	1	118.8570	0.000	1	118.8570	0.000	1	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a,6]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CC[6a]O)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CC[6a]O){1|C<4>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	123.3570	0.000	1	123.3570	0.000	1	123.3570	0.000	1	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C-3:H-1:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CCH)(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C(N[5a]C[5a]N[5a])(CCH)(H)	119.2720	0.000	1	119.2720	0.000	1	119.2720	0.000	1	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a]N[5a])(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(C[5a]C[5a,6a]C[5a])(N[5a]C[5a]N[5a])(O)	121.1440	0.824	3	121.1440	0.678	3	122.0748	2.947	9	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(O)	121.0585	0.343	2	121.0585	0.118	2	122.0748	2.947	9	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(C[5a]N[5a,6a]C[5a])(N[5a]C[5a]N[5a])(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(C[5a]N[5a,6a]C[5a])(N[5a]C[5a]N[5a])(O)	121.5845	0.206	2	121.5845	0.042	2	122.0748	2.947	9	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]O){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(O)	124.9775	0.248	2	124.9775	0.062	2	122.0748	2.947	9	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(O)	118.2980	0.000	1	118.2980	0.000	1	120.8802	10.436	5	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,1|H<1>,3|C<4>}	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(O)	118.6705	0.889	2	118.6705	0.790	2	120.8802	10.436	5	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(O)	124.3810	0.103	2	124.3810	0.011	2	120.8802	10.436	5	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5]C[5,6a]Si[5])(N[5a]C[5a]N[5a])(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(N[5]C[5,6a]Si[5])(N[5a]C[5a]N[5a])(O)	116.4700	0.000	1	116.4700	0.000	1	116.4700	0.000	1	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CHH)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHH)(H)	121.4780	0.000	1	121.4780	0.000	1	121.9897	1.075	3	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CN[5a]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CN[5a]H)(H)	121.3080	0.000	1	121.3080	0.000	1	121.9897	1.075	3	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CCH)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(CCH)(H)	123.1830	0.000	1	123.1830	0.000	1	121.9897	1.075	3	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CCH)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	C(N[5a]C[5a]N[5a])(CCH)(O)	118.9647	0.649	3	118.9647	0.421	3	118.6971	0.954	9	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:O-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CCH)(O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CCH)(O)	118.3435	1.399	4	118.3435	1.958	4	118.6971	0.954	9	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CN[5a]O)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(CN[5a]O)(O)	119.0030	0.132	2	119.0030	0.017	2	118.6971	0.954	9	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(O)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(O)	123.5620	0.000	1	123.5620	0.000	1	123.3210	1.288	3	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(O)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<2>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(O)	122.0850	0.000	1	122.0850	0.000	1	123.3210	1.288	3	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(O)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5a]O){1|S<2>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|N<3>}	C(N[5a]C[5a]N[5a])(C[5a]C[5a]2)(O)	124.3160	0.000	1	124.3160	0.000	1	123.3210	1.288	3	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Br<1>,1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	119.4400	0.120	2	118.6811	3.391	8	119.8816	3.535	23	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	118.4282	2.107	6	118.6811	3.391	8	119.8816	3.535	23	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,1|H<1>,3|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	119.1950	0.591	2	119.1950	0.349	2	119.8816	3.535	23	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]S)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]S)(N[5a]C[5a]C){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	119.3080	0.000	1	119.3080	0.000	1	119.8816	3.535	23	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	118.0385	1.346	2	118.0385	1.811	2	119.8816	3.535	23	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	122.5210	0.000	1	122.5210	0.000	1	119.8816	3.535	23	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	122.2210	0.000	1	122.5895	0.272	2	119.8816	3.535	23	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	122.9580	0.000	1	122.5895	0.272	2	119.8816	3.535	23	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	120.9000	0.000	1	120.9000	0.000	1	119.8816	3.535	23	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	120.7817	0.449	3	120.7817	0.202	3	119.8816	3.535	23	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]O){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	121.7590	0.000	1	121.7590	0.000	1	119.8816	3.535	23	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[6a]O){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	121.6030	0.000	1	121.6030	0.000	1	119.8816	3.535	23	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|N<2>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<2>,1|O<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	119.7450	0.000	1	119.7450	0.000	1	119.8816	3.535	23	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NC[6a]H)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(NC[6a]H)(O)	119.8350	0.000	1	119.8350	0.000	1	119.8855	2.788	13	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NHN)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(NHN)(O)	119.7082	0.430	6	119.7082	0.185	6	119.8855	2.788	13	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NC[6a]H)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(NC[6a]H)(O)	118.2870	0.000	1	118.2870	0.000	1	119.8855	2.788	13	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NHH)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(NHH)(O)	121.7760	0.000	1	121.7760	0.000	1	119.8855	2.788	13	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:O-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNO)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NCC)(O)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNO){1|S<4>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|H<1>}	C(N[5a]C[5a]N[5a])(NCC)(O)	124.4910	0.000	1	124.4910	0.000	1	119.8855	2.788	13	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CNO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NCH)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CNO){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<3>,1|O<1>}	C(N[5a]C[5a]N[5a])(NCH)(O)	118.6247	0.335	3	118.6247	0.112	3	119.8855	2.788	13	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:S-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NHH)(S)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNS){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(NHH)(S)	118.0145	0.108	2	118.0145	0.012	2	118.0145	0.012	2	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])2(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]O){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	C(N[5a]C[5a]N[5a])2(O)	119.5420	0.000	1	119.5420	0.000	1	119.5420	0.000	1	120.2592	4.365	78	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:N-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C(N[5a]C[5a,6a]N[5a])(NHH)(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNN){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(NHH)(NN)	118.3650	0.000	1	118.3650	0.000	1	118.3650	0.000	1	120.1516	2.380	23	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:N-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CHN)(NO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCN){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CHN)(NO)	119.4070	0.000	1	119.4070	0.000	1	119.2398	0.348	4	120.1516	2.380	23	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:N-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CNO)(NO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCN){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CNO)(NO)	119.1840	0.710	3	119.1840	0.504	3	119.2398	0.348	4	120.1516	2.380	23	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:N-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NCH)(NC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(NCH)(NC)	120.7500	0.000	1	120.7500	0.000	1	120.4535	2.539	18	120.1516	2.380	23	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:N-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NCuH)(NC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(NCuH)(NC)	119.8615	0.995	2	119.8615	0.990	2	120.4535	2.539	18	120.1516	2.380	23	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:N-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NHH)(NC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(NHH)(NC)	120.1463	0.165	3	120.1463	0.027	3	120.4535	2.539	18	120.1516	2.380	23	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:N-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NNiH)(NC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(NNiH)(NC)	121.2062	2.589	6	121.2062	6.703	6	120.4535	2.539	18	120.1516	2.380	23	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:N-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NPtH)(NC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(NPtH)(NC)	120.0255	0.620	4	120.0255	0.384	4	120.4535	2.539	18	120.1516	2.380	23	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:N-2:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNN)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NHH)(NC)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNN){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|C<4>}	C(N[5a]C[5a]N[5a])(NHH)(NC)	119.0200	0.000	1	119.0200	0.000	1	120.4535	2.539	18	120.1516	2.380	23	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:N-2:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NC[6a]H)(NC[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C(N[5a]C[5a]N[5a])(NC[6a]H)(NC[5a])	120.8920	0.000	1	120.8920	0.000	1	120.4535	2.539	18	120.1516	2.380	23	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a,6]-3:N[5a]-3:	N[5a]-3:C-3:C-3:	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCC)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CCO)2	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCC){1|C<3>,1|C<4>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C(N[5a]C[5a]N[5a])(CCO)2	121.1000	0.000	1	121.1000	0.000	1	121.1000	0.000	1	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CC[5a]O)(CCC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCC){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(CC[5a]O)(CCC)	119.2830	0.000	1	119.2830	0.000	1	120.7552	0.820	14	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:C-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	120.8766	0.911	11	120.8766	0.830	11	120.7552	0.820	14	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:C-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CC[5]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(CC[5]H)	120.7260	0.000	1	120.7260	0.000	1	120.7552	0.820	14	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:C-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)	120.9210	0.000	1	120.9210	0.000	1	120.7552	0.820	14	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5]-3:C-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(CC[6a]O)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]C){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(CC[6a]O)	123.5080	0.000	1	123.5080	0.000	1	122.6690	1.408	2	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5]-3:C-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[5]S[5]2)(CC[6a]O)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]C){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]S[5]2)(CC[6a]O)	121.8300	0.000	1	121.8300	0.000	1	122.6690	1.408	2	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]S)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]S)	129.1310	0.000	1	129.1310	0.000	1	121.2521	6.559	12	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	120.3717	0.405	6	120.4417	0.171	7	121.2521	6.559	12	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	120.8620	0.000	1	120.4417	0.171	7	121.2521	6.559	12	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	120.2060	0.383	3	120.2060	0.147	3	121.2521	6.559	12	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]C){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[5a]H)	122.1840	0.000	1	122.1840	0.000	1	121.2521	6.559	12	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:N-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NOO)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(NOO)2	119.5007	0.472	3	119.5007	0.223	3	119.9321	2.984	7	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NHH)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CNN){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|N<3>}	C(N[5a]C[5a]N[5a])(NHH)2	116.8320	0.000	1	116.8320	0.000	1	119.9321	2.984	7	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N-3:N-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(NOO)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	C(N[5a]C[5a]N[5a])(NOO)2	121.3970	0.653	3	121.3970	0.426	3	119.9321	2.984	7	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNN)	120.7400	0.397	2	120.7400	0.158	2	120.7400	0.158	2	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(N[5a]C[5a]2)(CC[6a]H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]C){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(N[5a]C[5a]2)(CC[6a]H)	118.5680	0.000	1	118.5680	0.000	1	119.5690	0.754	3	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])2(CC[6a]H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]C){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])2(CC[6a]H)	120.0695	0.074	2	120.0695	0.006	2	119.5690	0.754	3	120.7743	3.078	41	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CCHO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]H)(CCHO)	120.9985	0.204	2	120.9985	0.042	2	120.5123	0.730	3	120.5123	0.730	3	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CH3)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(CH3)	119.5400	0.000	1	119.5400	0.000	1	120.5123	0.730	3	120.5123	0.730	3	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5,5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]C)	C(N[5a]C[5,5a]N[5a])(CH3)(O)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO){2|H<1>,3|C<4>}	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]C){2|C<4>}	C(N[5a]C[5,5a]N[5a])(CH3)(O)	121.8120	0.000	1	121.8120	0.000	1	122.6930	1.552	2	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5,5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C)	C(N[5a]C[5,5a]N[5a])(CH3)(O)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO){1|C<4>,2|H<1>,2|N<3>}	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C){2|C<4>}	C(N[5a]C[5,5a]N[5a])(CH3)(O)	123.5740	0.000	1	123.5740	0.000	1	122.6930	1.552	2	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)	C(N[5a]C[5a,6a]N[5a])(CH3)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){1|Br<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CH3)(O)	121.3935	0.151	2	121.3935	0.023	2	120.2937	0.712	9	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C(N[5a]C[5a,6a]N[5a])(CH3)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C){1|H<1>,2|C<3>,2|C<4>}	C(N[5a]C[5a,6a]N[5a])(CH3)(O)	119.8105	0.712	2	119.8105	0.507	2	120.2937	0.712	9	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	C(N[5a]C[5a,6a]N[5a])(CH3)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CH3)(O)	119.7300	0.000	1	119.7300	0.000	1	120.2937	0.712	9	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C(N[5a]C[5a,6a]N[5a])(CCHH)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CCHH)(O)	119.7070	0.085	2	119.7070	0.007	2	120.2937	0.712	9	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C(N[5a]C[5a,6a]N[5a])(CH3)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CH3)(O)	120.5455	1.068	2	120.5455	1.142	2	120.2937	0.712	9	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5]-4:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]O)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]2H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]O){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]2H)(O)	120.6950	0.000	1	120.6950	0.000	1	120.6950	0.000	1	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a,6]-3:N[5a]-3:	N[5a]-3:C[3]-4:O-1:	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(CC[3]O)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[3]C[3]N[3]H)(O)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(CC[3]O){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C){2|C<4>,3|H<1>}	C(N[5a]C[5a]N[5a])(C[3]C[3]N[3]H)(O)	121.6140	0.000	1	121.6140	0.000	1	121.6140	0.000	1	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CCHH)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(O)	119.8405	1.595	2	119.8405	2.543	2	120.6764	2.324	30	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CCHH)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,1|H<1>,3|C<4>}	C(N[5a]C[5a]N[5a])(CCHH)(O)	119.6430	1.376	2	119.6430	1.893	2	120.6764	2.324	30	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CH3)(O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,1|H<1>,3|C<4>}	C(N[5a]C[5a]N[5a])(CH3)(O)	119.5000	0.000	1	119.5000	0.000	1	120.6764	2.324	30	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CCHH)(O)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(CCO){1|Fe<10>,1|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(O)	117.3040	1.079	2	117.3040	1.164	2	120.6764	2.324	30	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CH3)(O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO){1|I<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|I<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CH3)(O)	118.3810	0.000	1	118.3810	0.000	1	120.6764	2.324	30	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CCCH)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(CCCH)(O)	120.4580	0.000	1	120.4580	0.000	1	120.6764	2.324	30	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CCHH)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(O)	121.3222	0.480	4	121.3222	0.230	4	120.6764	2.324	30	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CC[6a]C[5]H)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]C[5]H)(O)	122.5420	0.748	4	122.5420	0.560	4	120.6764	2.324	30	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CC[6a]C[6]H)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]C[6]H)(O)	121.7690	0.000	1	121.7690	0.000	1	120.6764	2.324	30	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CHHO)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(CHHO)(O)	120.4500	0.000	1	120.4500	0.000	1	120.6764	2.324	30	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CCHH)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){1|I<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|H<1>,1|I<1>}	C(N[5a]C[5a]N[5a])(CCHH)(O)	121.9080	0.000	1	121.9080	0.000	1	120.6764	2.324	30	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CH3)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CH3)(O)	121.4460	0.135	4	121.4460	0.018	4	120.6764	2.324	30	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CH3)(O)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)(O)	119.4600	0.000	1	119.4600	0.000	1	120.6764	2.324	30	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]S)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CC[6a]CH)(O)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCO){1|C<2>,1|S<2>}	N[5a](C[5a]C[5a]S)(N[5a]C[5a]C){1|C<2>,1|N<3>}	C(N[5a]C[5a]N[5a])(CC[6a]CH)(O)	120.9590	0.000	1	120.9590	0.000	1	120.6764	2.324	30	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CH3)(O)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCO){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	C(N[5a]C[5a]N[5a])(CH3)(O)	122.3980	0.000	1	122.3980	0.000	1	120.6764	2.324	30	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CH3)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCO){1|C<4>,1|N<2>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<2>,1|O<1>}	C(N[5a]C[5a]N[5a])(CH3)(O)	120.0647	0.072	3	120.0647	0.005	3	120.6764	2.324	30	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5]-4:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(C[5]C[5]2H)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5]O){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[5]2H)(O)	122.5467	0.964	3	122.5467	0.929	3	122.5467	0.929	3	120.8320	2.138	46	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:C-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCC)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CHHO)(CHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCC){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C(N[5a]C[5a]N[5a])(CHHO)(CHH)	117.9375	0.217	2	117.9375	0.047	2	119.1943	4.762	3	119.6328	1.082	11	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:C-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(CC[5]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]HO)(CC[5]H)	121.7080	0.000	1	121.7080	0.000	1	119.1943	4.762	3	119.6328	1.082	11	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:N-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CCHH)(NPtH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(NPtH)	119.8130	0.027	2	119.8130	0.001	2	119.7972	0.072	8	119.6328	1.082	11	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:2:3:	3:3:	3:4:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:N-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C(N[5a]C[5a]N[5a])(CCHH)(NPtH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C(N[5a]C[5a]N[5a])(CCHH)(NPtH)	119.7920	0.316	6	119.7920	0.100	6	119.7972	0.072	8	119.6328	1.082	11	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	3:3:2:	3:3:	3:3:3:	C-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-3:	N[5a](CC[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])2	N[5a](CC[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])2	118.0528	0.335	4	118.0528	0.112	4	118.0528	0.112	4	118.0528	0.112	4	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	4:2:3:	3:3:	3:3:1:	B[5a]-4:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[5a]H)	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C)	C(C[5a]C[5a]N[5a])(N[5a]B[5a]N[5a])(H)	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[5a]H){1|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C){2|C<3>,2|F<1>}	C(C[5a]C[5a]N[5a])(N[5a]B[5a]N[5a])(H)	118.3367	2.449	3	118.3367	6.000	3	118.3367	6.000	3	119.9903	10.998	9	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	4:2:3:	3:3:	3:3:1:	B[5a]-4:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:H-1:	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C)	C(N[5a]B[5a]N[5a])(CCH)(H)	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CCH){1|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C){2|C<3>,2|F<1>}	C(N[5a]B[5a]N[5a])(CCH)(H)	119.1440	0.049	2	119.1440	0.002	2	119.1440	0.002	2	119.9903	10.998	9	120.5734	3.909	307	120.5734	3.909	307
813	519	930	0:SP2_SP2_SP2	N[5a]	N[5a]	C	4:2:3:	3:3:	3:3:1:	B[5a]-4:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:H-1:	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[6a]H)	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C)	C(N[5a]B[5a]N[5a])(C[6a]C[6a]2)(H)	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[6a]H){1|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C){2|C<3>,2|F<1>}	C(N[5a]B[5a]N[5a])(C[6a]C[6a]2)(H)	121.6538	4.292	4	121.6538	18.425	4	121.6538	18.425	4	119.9903	10.998	9	120.5734	3.909	307	120.5734	3.909	307
813	519	941	0:SP2_SP2_SP2	N[5a]	N[5a]	N	2:2:2:	3:2:	3:3:	N[5a]-2:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N-3:	N[5a](N[5a]N[5a])2(NN)	N[5a](N[5a]N[5a]N)(N[5a]N[5a])	N(N[5a]N[5a]2)(NOO)	N[5a](N[5a]N[5a])2(NN)	N[5a](N[5a]N[5a]N)(N[5a]N[5a])	N(N[5a]N[5a]2)(NOO)	126.4548	6.679	6	126.4548	44.615	6	126.4548	44.615	6	126.4548	44.615	6	124.1407	30.571	23	124.1407	30.571	23
813	519	941	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:2:	3:2:	3:2:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N-2:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NN)	N[5a](N[5a]C[5a]N)(N[5a]C[5a])	N(N[5a]C[5a]N[5a])(NN[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NN){1|H<1>}	N[5a](N[5a]C[5a]N)(N[5a]C[5a]){2|H<1>}	N(N[5a]C[5a]N[5a])(NN[5a])	115.1660	0.000	1	115.1660	0.000	1	124.2272	39.077	4	124.2272	39.077	4	124.1407	30.571	23	124.1407	30.571	23
813	519	941	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:2:	3:2:	3:2:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N-2:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	N(N[5a]C[5a]N[5a])(NN[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|C<4>}	N(N[5a]C[5a]N[5a])(NN[5a])	126.1125	0.155	2	126.1125	0.024	2	124.2272	39.077	4	124.2272	39.077	4	124.1407	30.571	23	124.1407	30.571	23
813	519	941	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:2:	3:2:	3:2:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N-2:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NN)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	N(N[5a]C[5a]N[5a])(NN[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NN)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>}	N(N[5a]C[5a]N[5a])(NN[5a])	129.5180	0.000	1	129.5180	0.000	1	124.2272	39.077	4	124.2272	39.077	4	124.1407	30.571	23	124.1407	30.571	23
813	519	941	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C-3:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]N)(N[5a]C[5a])	N(N[5a]C[5a]N[5a])(CCH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC){1|H<1>}	N[5a](N[5a]C[5a]N)(N[5a]C[5a]){2|H<1>}	N(N[5a]C[5a]N[5a])(CCH)	124.3175	0.036	2	124.3175	0.001	2	124.9927	34.942	7	122.9330	25.684	12	124.1407	30.571	23	124.1407	30.571	23
813	519	941	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C-3:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	N(N[5a]C[5a]N[5a])(CCN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|C<4>}	N(N[5a]C[5a]N[5a])(CCN)	129.1300	0.000	1	129.1300	0.000	1	124.9927	34.942	7	122.9330	25.684	12	124.1407	30.571	23	124.1407	30.571	23
813	519	941	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	N(N[5a]C[5a]N[5a])(CCC)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|N<2>}	N(N[5a]C[5a]N[5a])(CCC)	121.2230	0.000	1	124.2960	63.227	4	124.9927	34.942	7	122.9330	25.684	12	124.1407	30.571	23	124.1407	30.571	23
813	519	941	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	N(N[5a]C[5a]N[5a])(CCC)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|N<3>}	N(N[5a]C[5a]N[5a])(CCC)	125.3203	9.410	3	124.2960	63.227	4	124.9927	34.942	7	122.9330	25.684	12	124.1407	30.571	23	124.1407	30.571	23
813	519	941	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NN)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	N(N[5a]C[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NN){1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|C<3>}	N(N[5a]C[5a]N[5a])(NOO)	120.0494	0.632	5	120.0494	0.400	5	120.0494	0.400	5	122.9330	25.684	12	124.1407	30.571	23	124.1407	30.571	23
813	519	941	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:2:	3:3:	3:3:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(CC[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]N){1|H<1>}	N(N[5a]C[5a]N[5a])(CC[5a]H)	124.4010	0.000	1	124.4010	0.000	1	124.4010	0.000	1	124.4010	0.000	1	124.1407	30.571	23	124.1407	30.571	23
813	519	945	0:SP2_SP2_SP3	N[5a]	N[5a]	P	3:2:3:	3:3:	3:4:3:	C[5a]-3:N[5a]-2:P-3:	C[5a]-3:N[5a]-3:	N[5a]-3:P-4:P-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PPP)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	P(N[5a]C[5a]N[5a])(PC[6]2Fe)(PC[6]2)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PPP){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	P(N[5a]C[5a]N[5a])(PC[6]2Fe)(PC[6]2)	123.1525	0.255	2	123.1525	0.065	2	123.1525	0.065	2	123.1525	0.065	2	120.5428	19.783	10	120.5428	19.783	10
813	519	945	0:SP2_SP2_SP3	N[5a]	N[5a]	P	3:3:2:	3:3:	3:3:3:	C[5a]-3:P-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(PC[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	P(C[5a]N[5a]S[5a])(N[5a]C[5a]N[5a])2	N[5a](C[5a]C[5a]C)(PC[5a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	P(C[5a]N[5a]S[5a])(N[5a]C[5a]N[5a])2	123.6390	0.000	1	123.6390	0.000	1	123.6390	0.000	1	119.8904	22.994	8	120.5428	19.783	10	120.5428	19.783	10
813	519	945	0:SP2_SP2_SP3	N[5a]	N[5a]	P	3:3:2:	3:3:	3:3:3:	C[5a]-3:P-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(PC[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	P(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2	N[5a](C[5a]C[5a]C)(PC[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	P(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2	118.3220	6.369	4	118.3220	40.565	4	118.3220	40.565	4	119.8904	22.994	8	120.5428	19.783	10	120.5428	19.783	10
813	519	945	0:SP2_SP2_SP3	N[5a]	N[5a]	P	3:3:2:	3:3:	3:3:3:	C[5a]-3:P-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:C[6]-3:	N[5a](C[5a]C[5a]C)(PN[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	P(N[5a]C[5a]N[5a])2(C[6]C[6]N[6])	N[5a](C[5a]C[5a]C)(PN[5a]C[6])(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	P(N[5a]C[5a]N[5a])2(C[6]C[6]N[6])	119.3180	1.119	2	119.3180	1.251	2	120.7320	6.624	3	119.8904	22.994	8	120.5428	19.783	10	120.5428	19.783	10
813	519	945	0:SP2_SP2_SP3	N[5a]	N[5a]	P	3:3:2:	3:3:	3:3:3:	C[5a]-3:P-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:C[6]-3:	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P)	P(N[5a]C[5a]N[5a])2(C[6]C[6]N[6])	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P){1|H<1>,3|C<3>}	P(N[5a]C[5a]N[5a])2(C[6]C[6]N[6])	123.5600	0.000	1	123.5600	0.000	1	120.7320	6.624	3	119.8904	22.994	8	120.5428	19.783	10	120.5428	19.783	10
813	519	945	0:SP3_SP2_SP3	N[5a]	N[5a]	P	3:3:2:	3:3:	3:3:3:	C[5a]-3:P-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:C[6]-3:	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P)	P(N[5a]C[5a]N[5a])2(C[6]C[6]N[6])	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P){1|H<1>,3|C<3>}	P(N[5a]C[5a]N[5a])2(C[6]C[6]N[6])	120.2670	0.000	1	120.2670	0.000	1	120.2670	0.000	1	120.2670	0.000	1	120.2670	0.000	1	120.2670	0.000	1
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:2:	3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](N[5a]N[5a]H)(N[5a]C[5a])	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>}	N[5a](N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>}	H(N[5a]N[5a]2)	121.9893	2.152	10	121.9666	6.287	32	121.9666	6.287	32	121.9666	6.287	32	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:2:	3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](N[5a]N[5a]H)(N[5a]C[5a])	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>}	N[5a](N[5a]N[5a]H)(N[5a]C[5a]){1|C<4>}	H(N[5a]N[5a]2)	122.6933	1.112	8	121.9666	6.287	32	121.9666	6.287	32	121.9666	6.287	32	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:2:	3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](N[5a]N[5a]H)(N[5a]C[5a])	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	N[5a](N[5a]N[5a]H)(N[5a]C[5a]){1|N<3>}	H(N[5a]N[5a]2)	121.5351	3.255	14	121.9666	6.287	32	121.9666	6.287	32	121.9666	6.287	32	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a,6])2(H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a,6])2(H){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H){1|O<1>,2|C<3>}	H(N[5a]N[5a]2)	121.2795	1.314	4	121.2795	1.727	4	121.2795	1.727	4	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]H){2|C<3>}	H(N[5a]N[5a]2)	124.2220	0.236	2	124.2220	0.056	2	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	H(N[5a]N[5a]2)	123.8318	3.949	9	123.8318	15.592	9	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	122.4986	1.036	8	122.4986	1.073	8	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]H){1|C<3>,1|N<2>}	H(N[5a]N[5a]2)	125.5360	0.000	1	125.5360	0.000	1	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H){1|C<3>,1|N<3>}	H(N[5a]N[5a]2)	122.6677	2.551	4	123.2111	5.524	7	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H){2|C<3>}	H(N[5a]N[5a]2)	123.9357	2.331	3	123.2111	5.524	7	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	125.1670	1.693	3	125.1670	2.867	3	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H){1|C<3>,1|N<2>}	H(N[5a]N[5a]2)	124.6000	0.000	1	124.5950	0.000	2	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H){1|C<3>,1|N<3>}	H(N[5a]N[5a]2)	124.5900	0.000	1	124.5950	0.000	2	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H){1|N<2>,2|N<3>}	H(N[5a]N[5a]2)	121.5115	1.938	2	121.9376	4.477	7	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){2|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>}	H(N[5a]N[5a]2)	122.0960	0.007	2	121.9376	4.477	7	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){2|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H){1|O<2>,2|C<3>}	H(N[5a]N[5a]2)	119.7770	0.000	1	121.9376	4.477	7	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){2|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H){1|S<2>,2|C<3>}	H(N[5a]N[5a]2)	123.2855	3.794	2	121.9376	4.477	7	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){1|C<2>,1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<2>}	H(N[5a]N[5a]2)	122.0630	0.000	1	121.4097	2.441	20	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){1|C<2>,1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<3>}	H(N[5a]N[5a]2)	121.9760	0.000	1	121.4097	2.441	20	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<3>}	H(N[5a]N[5a]2)	122.4076	0.948	5	121.4097	2.441	20	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<4>}	H(N[5a]N[5a]2)	121.0510	1.083	5	121.4097	2.441	20	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|N<3>}	H(N[5a]N[5a]2)	119.2350	0.000	1	121.4097	2.441	20	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|O<2>}	H(N[5a]N[5a]2)	120.1080	0.000	1	121.4097	2.441	20	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){2|C<2>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<2>}	H(N[5a]N[5a]2)	121.5692	0.697	4	121.4097	2.441	20	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<3>}	H(N[5a]N[5a]2)	120.6210	4.743	2	121.4097	2.441	20	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H){1|Fe<10>,1|C<3>,2|C<4>}	H(N[5a]N[5a]2)	121.5750	0.000	1	120.6220	1.816	2	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H){1|N<2>,2|N<3>}	H(N[5a]N[5a]2)	119.6690	0.000	1	120.6220	1.816	2	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H){1|C<4>,2|C<3>}	H(N[5a]N[5a]2)	120.6000	0.000	1	122.1792	1.944	5	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H){1|H<1>,2|C<3>}	H(N[5a]N[5a]2)	121.7130	0.000	1	122.1792	1.944	5	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H){3|C<3>}	H(N[5a]N[5a]2)	122.8610	1.355	3	122.1792	1.944	5	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a]H){1|C<3>}	H(N[5a]N[5a]2)	122.7760	0.000	1	122.3555	0.354	2	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>}	H(N[5a]N[5a]2)	121.9350	0.000	1	122.3555	0.354	2	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a]H){1|C<3>}	H(N[5a]N[5a]2)	123.0482	2.089	4	123.0482	4.365	4	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	2:2:1:	3:3:	3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]O)(N[5a]N[5a]H)	H(N[5a]N[5a]2)	N[5a](N[5a]C[5a])2(H){1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]N[5a]H){1|C<4>}	H(N[5a]N[5a]2)	124.5560	0.000	1	124.5560	0.000	1	122.6162	5.143	73	122.5467	5.029	77	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a,6]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])	H(N[5a]C[5a,6]N[5a])	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(H){2|C<3>}	N[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6]){1|C<3>,1|N<2>}	H(N[5a]C[5a,6]N[5a])	121.7660	0.000	1	121.7660	0.000	1	121.7660	0.000	1	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(H){3|C<3>}	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	124.9170	0.000	1	124.9170	0.000	1	122.0291	9.211	23	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	121.6974	2.967	20	121.8978	9.234	22	122.0291	9.211	23	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|N<2>,2|C<3>}	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	120.9210	0.000	1	121.8978	9.234	22	122.0291	9.211	23	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){3|C<3>}	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	126.8830	0.000	1	121.8978	9.234	22	122.0291	9.211	23	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[5,6]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5,6]N[5a])(N[5a]N[5a])(H){1|O<2>,2|C<4>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	H(N[5a]C[5a]N[5a])	115.9960	1.850	2	115.9960	3.422	2	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]C[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(H){1|C<2>,1|C<3>,1|S<2>}	N[5a](N[5a]C[5a]H)(N[5a]C[5a]){1|C<2>,1|C<3>}	H(N[5a]C[5a]N[5a])	118.9520	0.000	1	118.5950	0.255	2	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]C[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(H){1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>}	H(N[5a]C[5a]N[5a])	118.2380	0.000	1	118.5950	0.255	2	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]C[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>}	H(N[5a]C[5a]N[5a])	119.4660	0.000	1	119.4660	0.000	1	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]C[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){1|O<2>,2|C<2>}	N[5a](N[5a]C[5a]H)(N[5a]C[5a]){1|C<2>,1|C<3>}	H(N[5a]C[5a]N[5a])	118.8930	0.000	1	118.8930	0.000	1	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]C[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<2>,2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]C[5a]){1|C<2>,1|C<3>}	H(N[5a]C[5a]N[5a])	117.8470	0.000	1	117.8470	0.000	1	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]C[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	118.8970	0.000	1	118.8970	0.000	1	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]C[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(H){1|N<3>}	N[5a](N[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,1|N<3>}	H(N[5a]C[5a]N[5a])	120.0770	0.000	1	120.0770	0.000	1	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	H(N[5a]C[5a]N[5a])	120.4974	3.451	9	120.9827	12.942	10	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	H(N[5a]C[5a]N[5a])	125.3500	0.000	1	120.9827	12.942	10	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[5a]Si)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]C[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]Si)(N[5a]N[5a])(H){1|Si<4>}	N[5a](N[5a]C[5a]H)(N[5a]C[5a]){2|Si<4>}	H(N[5a]C[5a]N[5a])	118.3440	0.000	1	118.3440	0.000	1	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	H(N[5a]C[5a]N[5a])	122.8336	2.480	7	121.2897	17.151	43	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	H(N[5a]C[5a]N[5a])	120.9895	4.354	36	121.2897	17.151	43	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]2)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]2)(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|N<3>}	H(N[5a]C[5a]N[5a])	126.2880	0.000	1	126.2880	0.000	1	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	H(N[5a]C[5a]N[5a])	123.9806	3.290	10	122.4370	16.560	49	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	H(N[5a]C[5a]N[5a])	122.0412	4.191	39	122.4370	16.560	49	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	H(N[5a]C[5a]N[5a])	117.5907	1.368	4	118.1550	2.605	6	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	H(N[5a]C[5a]N[5a])	117.9440	0.000	1	118.1550	2.605	6	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	H(N[5a]C[5a]N[5a])	120.6230	0.000	1	118.1550	2.605	6	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H){1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	H(N[5a]C[5a]N[5a])	126.0830	0.000	1	124.2659	4.568	8	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H){2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	H(N[5a]C[5a]N[5a])	124.0063	2.168	7	124.2659	4.568	8	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|H<1>}	H(N[5a]C[5a]N[5a])	123.5600	0.000	1	123.5600	0.000	1	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|N<2>}	H(N[5a]C[5a]N[5a])	121.4971	3.906	17	121.6048	12.026	36	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|N<3>}	H(N[5a]C[5a]N[5a])	121.7012	3.131	19	121.6048	12.026	36	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(H){1|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|O<1>}	H(N[5a]C[5a]N[5a])	123.1763	1.460	3	123.6108	1.421	5	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(H){1|H<1>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<1>}	H(N[5a]C[5a]N[5a])	124.3040	0.000	1	123.6108	1.421	5	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(H){1|N<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>}	H(N[5a]C[5a]N[5a])	124.2210	0.000	1	123.6108	1.421	5	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]Se)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]Se)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|Se<2>}	H(N[5a]C[5a]N[5a])	125.3750	0.000	1	125.3750	0.000	1	121.6559	14.581	170	121.7007	13.832	194	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	B[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](B[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]H)	H(N[5a]B[5a]N[5a])	N[5a](B[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]H){1|H<1>,3|C<3>}	H(N[5a]B[5a]N[5a])	114.6310	0.000	1	114.6310	0.000	1	114.6310	0.000	1	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5,5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a])(H)	N[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a]H)	H(N[5a]C[5,5a]N[5a])	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a]H){1|C<3>,1|N<3>,2|N<2>}	H(N[5a]C[5,5a]N[5a])	125.2170	0.000	1	125.2170	0.000	1	125.2170	0.000	1	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]H)	H(N[5a]C[5a,5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(H){1|N<2>,3|N<3>}	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]H){1|C<3>,1|N<3>}	H(N[5a]C[5a,5a]N[5a])	122.9542	2.438	5	122.9542	5.944	5	121.6601	5.178	10	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)	H(N[5a]C[5a,5a]N[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H){1|C<3>,3|N<2>}	H(N[5a]C[5a,5a]N[5a])	119.9150	0.000	1	120.0162	1.212	4	121.6601	5.178	10	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)	H(N[5a]C[5a,5a]N[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H){2|C<3>,2|N<2>}	H(N[5a]C[5a,5a]N[5a])	120.0500	1.346	3	120.0162	1.212	4	121.6601	5.178	10	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a]H)	H(N[5a]C[5a,5a]N[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a]H){2|N<2>}	H(N[5a]C[5a,5a]N[5a])	121.7650	0.000	1	121.7650	0.000	1	121.6601	5.178	10	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)	H(N[5a]C[5a,6]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|C<4>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H){1|C<3>,1|C<4>}	H(N[5a]C[5a,6]N[5a])	123.9140	0.000	1	123.9140	0.000	1	123.1418	10.006	25	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C[6])(N[5a]C[5a,6]H)	H(N[5a]C[5a,6]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6])(N[5a]C[5a,6]H){1|C<4>,3|C<3>}	H(N[5a]C[5a,6]N[5a])	123.6230	0.000	1	123.6230	0.000	1	123.1418	10.006	25	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	H(N[5a]C[5a,6]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,3|C<3>}	H(N[5a]C[5a,6]N[5a])	123.7460	0.000	1	123.6600	0.015	2	123.1418	10.006	25	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	H(N[5a]C[5a,6]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){4|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H){4|C<3>}	H(N[5a]C[5a,6]N[5a])	123.5740	0.000	1	123.6600	0.015	2	123.1418	10.006	25	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)	H(N[5a]C[5a,6]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,1|O<1>,2|C<4>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H){1|C<3>,1|C<4>}	H(N[5a]C[5a,6]N[5a])	123.6250	0.000	1	123.6250	0.000	1	123.1418	10.006	25	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)	H(N[5a]C[5a,6]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H){2|C<3>}	H(N[5a]C[5a,6]N[5a])	122.8630	0.000	1	122.2641	11.065	15	123.1418	10.006	25	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)	H(N[5a]C[5a,6]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){2|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H){2|C<4>}	H(N[5a]C[5a,6]N[5a])	122.2213	3.448	14	122.2641	11.065	15	123.1418	10.006	25	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H)	H(N[5a]C[5a,6]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|O<2>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H){2|C<4>}	H(N[5a]C[5a,6]N[5a])	120.3890	0.000	1	120.3890	0.000	1	123.1418	10.006	25	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]N[6,6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	H(N[5a]C[5a,6]N[5a])	N[5a](C[5a,6]C[5a,6]N[6,6])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>}	H(N[5a]C[5a,6]N[5a])	124.1520	0.096	2	124.1520	0.009	2	123.1418	10.006	25	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)	H(N[5a]C[5a,6]N[5a])	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(H){1|C<3>,2|C<4>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H){1|C<4>,1|O<2>}	H(N[5a]C[5a,6]N[5a])	128.7040	0.757	2	128.7040	0.572	2	123.1418	10.006	25	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a])(H){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	115.7860	0.000	1	115.7860	0.000	1	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	124.0860	0.000	1	123.9475	0.038	2	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	123.8090	0.000	1	123.9475	0.038	2	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	118.2835	1.541	2	118.2835	2.374	2	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|F<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	118.8159	5.218	7	121.6594	16.928	17	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	124.1853	0.270	3	121.6594	16.928	17	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	123.4203	1.283	7	121.6594	16.928	17	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|F<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){4|C<3>}	H(N[5a]C[5a,6a]N[5a])	121.9227	3.991	3	121.1920	12.755	4	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){4|C<3>}	H(N[5a]C[5a,6a]N[5a])	119.0000	0.000	1	121.1920	12.755	4	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	118.5680	0.000	1	118.5680	0.000	1	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|Br<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	124.3180	0.000	1	122.2801	7.006	15	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	124.0490	0.000	1	122.2801	7.006	15	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	124.0090	0.000	1	122.2801	7.006	15	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	121.3690	3.780	2	122.2801	7.006	15	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	124.2690	0.000	1	122.2801	7.006	15	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	118.8400	1.754	2	122.2801	7.006	15	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	122.4484	2.613	7	122.2801	7.006	15	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	124.2600	0.000	1	124.2600	0.000	1	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]N[6])(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,6a]N[6])(N[5a]C[5a,6a]H){2|C<3>,2|C<4>}	H(N[5a]C[5a,6a]N[5a])	119.6603	3.412	4	119.6603	11.640	4	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	117.7250	0.000	1	122.4490	16.741	3	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H){2|C<3>}	H(N[5a]C[5a,6a]N[5a])	124.8110	0.086	2	122.4490	16.741	3	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	H(N[5a]C[5a,6a]N[5a])	122.4777	1.776	6	122.4777	3.155	6	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H){1|C<3>,1|N<3>,2|N<2>}	H(N[5a]C[5a,6a]N[5a])	124.0650	0.000	1	124.0650	0.000	1	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(N[5a]C[5a,6a]N[5a])	120.6900	0.000	1	120.6900	0.000	1	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|N<2>,3|C<3>}	H(N[5a]C[5a,6a]N[5a])	124.3130	0.000	1	124.3130	0.000	1	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	H(N[5a]C[5a,6a]N[5a])	120.3841	2.007	10	120.3841	4.027	10	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|I<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	H(N[5a]C[5a,6a]N[5a])	124.5200	0.000	1	124.5200	0.000	1	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)	H(N[5a]C[5a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	H(N[5a]C[5a,6a]N[5a])	116.8740	0.000	1	116.8740	0.000	1	121.4847	10.023	71	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H){1|C<3>,1|C<4>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]H){2|C<3>,2|C<4>}	H(N[5a]C[5a]N[5a])	113.8130	0.000	1	113.8130	0.000	1	120.7239	10.986	11	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H){1|C<3>,1|C<4>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H){1|H<1>,1|O<2>,3|C<3>}	H(N[5a]C[5a]N[5a])	118.5420	0.000	1	118.5420	0.000	1	120.7239	10.986	11	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(H){1|C<3>,1|C<4>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(N[5a]C[5a]N[5a])	122.6960	0.000	1	122.6960	0.000	1	120.7239	10.986	11	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5,5a]P)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5,5a]P)(N[5a]C[5,5a])(H){2|C<3>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H){1|O<1>,1|P<4>,2|C<3>}	H(N[5a]C[5a]N[5a])	118.8730	0.000	1	118.8730	0.000	1	120.7239	10.986	11	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H){1|N<2>,1|N<3>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[5a]C[5a]N[5a])	116.3190	0.000	1	122.0056	6.421	7	120.7239	10.986	11	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H){1|N<2>,1|N<3>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H){1|C<3>,1|N<2>,2|N<3>}	H(N[5a]C[5a]N[5a])	122.9200	0.437	5	122.0056	6.421	7	120.7239	10.986	11	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H){1|N<2>,1|N<3>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H){1|C<3>,3|N<2>}	H(N[5a]C[5a]N[5a])	123.1200	0.000	1	122.0056	6.421	7	120.7239	10.986	11	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]2)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|C<4>}	N[5a](C[5a,6]C[5a,6]2)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>}	H(N[5a]C[5a]N[5a])	122.3360	0.000	1	122.3360	0.000	1	121.9034	6.140	42	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H){2|H<1>,3|C<4>}	H(N[5a]C[5a]N[5a])	122.8315	0.713	2	122.8315	0.509	2	121.9034	6.140	42	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	H(N[5a]C[5a]N[5a])	123.3744	0.145	5	123.3744	0.021	5	121.9034	6.140	42	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	H(N[5a]C[5a]N[5a])	120.6667	2.676	12	120.6667	7.161	12	121.9034	6.140	42	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<3>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]H){1|N<3>,3|C<3>}	H(N[5a]C[5a]N[5a])	122.5020	0.000	1	122.5020	0.000	1	121.9034	6.140	42	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	H(N[5a]C[5a]N[5a])	123.1010	0.000	1	123.1010	0.000	1	121.9034	6.140	42	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H){2|C<4>,3|H<1>}	H(N[5a]C[5a]N[5a])	122.6893	2.552	14	122.6893	6.511	14	121.9034	6.140	42	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H){2|C<3>,2|H<1>}	H(N[5a]C[5a]N[5a])	115.7920	0.000	1	115.7920	0.000	1	121.9034	6.140	42	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6])(H){2|N<2>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a]H){3|N<2>}	H(N[5a]C[5a]N[5a])	122.8405	0.060	2	122.8405	0.004	2	121.9034	6.140	42	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(H){1|C<3>,1|C<4>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(N[5a]C[5a]N[5a])	120.0950	0.000	1	120.7823	1.672	3	121.9034	6.140	42	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(H){1|C<3>,1|C<4>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]H){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	H(N[5a]C[5a]N[5a])	121.1260	1.624	2	120.7823	1.672	3	121.9034	6.140	42	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H){1|O<1>,1|O<2>,2|C<3>}	H(N[5a]C[5a]N[5a])	122.8620	0.000	1	122.8620	0.000	1	121.6162	5.844	5	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]O[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]O[6a])(N[5a]C[5a]H){1|C<4>,2|C<3>}	H(N[5a]C[5a]N[5a])	119.0410	0.956	2	119.0410	0.914	2	121.6162	5.844	5	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(H){2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]H){1|N<3>,2|N<2>}	H(N[5a]C[5a]N[5a])	123.5685	0.159	2	123.5685	0.025	2	121.6162	5.844	5	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H){1|C<3>,1|N<2>,2|N<3>}	H(N[5a]C[5a]N[5a])	117.9870	0.000	1	117.9870	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	125.9990	0.000	1	125.9990	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	118.9130	0.000	1	120.5162	7.924	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|N<2>,1|O<2>,2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|N<3>}	H(N[5a]C[5a]N[5a])	121.0507	3.189	3	120.5162	7.924	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	118.1810	0.000	1	118.1810	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	H(N[5a]C[5a]N[5a])	117.2070	0.000	1	117.2070	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|Br<1>,1|C<4>}	H(N[5a]C[5a]N[5a])	116.7610	0.000	1	120.8386	13.279	149	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	H(N[5a]C[5a]N[5a])	120.6346	3.547	25	120.8386	13.279	149	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	120.0961	3.420	42	120.8386	13.279	149	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	H(N[5a]C[5a]N[5a])	119.9070	5.832	5	120.8386	13.279	149	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	120.1015	6.001	8	120.8386	13.279	149	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	H(N[5a]C[5a]N[5a])	120.9853	3.722	23	120.8386	13.279	149	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|N<2>}	H(N[5a]C[5a]N[5a])	118.3415	1.947	2	120.8386	13.279	149	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|N<3>}	H(N[5a]C[5a]N[5a])	121.5000	2.080	2	120.8386	13.279	149	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|S<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|S<2>}	H(N[5a]C[5a]N[5a])	123.6285	0.422	2	120.8386	13.279	149	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|Cl<1>,1|C<4>}	H(N[5a]C[5a]N[5a])	117.4580	0.000	1	120.8386	13.279	149	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|Se<2>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|Se<2>,1|C<4>}	H(N[5a]C[5a]N[5a])	123.3230	0.000	1	120.8386	13.279	149	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	H(N[5a]C[5a]N[5a])	119.6723	2.457	4	120.8386	13.279	149	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|C<3>}	H(N[5a]C[5a]N[5a])	118.8290	0.000	1	120.8386	13.279	149	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	H(N[5a]C[5a]N[5a])	118.7925	6.744	2	120.8386	13.279	149	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>}	H(N[5a]C[5a]N[5a])	122.7483	2.594	30	120.8386	13.279	149	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H){1|Fe<10>,1|H<1>,3|C<4>}	H(N[5a]C[5a]N[5a])	118.8743	2.146	3	118.8743	4.605	3	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,3|C<3>}	H(N[5a]C[5a]N[5a])	115.3610	0.000	1	120.3295	10.157	15	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|C<4>}	H(N[5a]C[5a]N[5a])	121.1910	2.840	2	120.3295	10.157	15	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(N[5a]C[5a]N[5a])	116.5310	0.000	1	120.3295	10.157	15	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	H(N[5a]C[5a]N[5a])	120.0984	3.080	7	120.3295	10.157	15	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	H(N[5a]C[5a]N[5a])	121.8755	3.989	2	120.3295	10.157	15	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|S<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|S<4>,2|C<3>}	H(N[5a]C[5a]N[5a])	123.1140	0.185	2	120.3295	10.157	15	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){2|C<4>}	H(N[5a]C[5a]N[5a])	118.1870	0.000	1	120.6885	12.515	2	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	H(N[5a]C[5a]N[5a])	123.1900	0.000	1	120.6885	12.515	2	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|C<4>}	H(N[5a]C[5a]N[5a])	117.3990	0.000	1	123.0479	3.623	11	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){2|C<4>}	H(N[5a]C[5a]N[5a])	123.8240	0.170	2	123.0479	3.623	11	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	123.8610	0.400	3	123.0479	3.623	11	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<4>,1|H<1>}	H(N[5a]C[5a]N[5a])	123.4518	0.209	4	123.0479	3.623	11	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|N<3>}	H(N[5a]C[5a]N[5a])	123.0900	0.000	1	123.0479	3.623	11	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H){1|C<3>,3|C<4>}	H(N[5a]C[5a]N[5a])	115.4635	1.944	2	114.8415	18.160	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H){1|H<1>,1|S<4>,2|C<4>}	H(N[5a]C[5a]N[5a])	114.2195	7.011	2	114.8415	18.160	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	H(N[5a]C[5a]N[5a])	121.5503	3.889	4	121.5503	15.123	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>}	H(N[5a]C[5a]N[5a])	119.2140	2.636	2	119.2497	6.541	6	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){2|C<4>}	H(N[5a]C[5a]N[5a])	123.5790	0.000	1	119.2497	6.541	6	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<4>,1|N<3>}	H(N[5a]C[5a]N[5a])	118.5870	0.000	1	119.2497	6.541	6	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|O<2>,1|S<4>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<4>,1|S<4>}	H(N[5a]C[5a]N[5a])	117.2170	0.000	1	119.2497	6.541	6	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<4>,1|O<2>}	H(N[5a]C[5a]N[5a])	117.6870	0.000	1	119.2497	6.541	6	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]P)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|P<4>}	N[5a](C[5a]C[5a]P)(N[5a]C[5a]H){2|C<3>}	H(N[5a]C[5a]N[5a])	117.6540	0.000	1	117.6540	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|Fe<10>,1|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	H(N[5a]C[5a]N[5a])	117.9360	1.557	3	117.9360	2.423	3	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(N[5a]C[5a]N[5a])	123.9580	0.000	1	118.5620	58.234	2	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H){1|C<3>,1|N<2>,2|N<3>}	H(N[5a]C[5a]N[5a])	113.1660	0.000	1	118.5620	58.234	2	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|O<2>,3|C<3>}	H(N[5a]C[5a]N[5a])	122.5205	1.795	2	122.5205	3.223	2	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	116.2330	0.000	1	116.2330	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	H(N[5a]C[5a]N[5a])	116.3520	2.694	3	116.3520	7.259	3	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	120.4987	4.026	3	121.3544	5.627	23	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	120.2837	2.859	3	121.3544	5.627	23	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	122.4220	2.105	3	121.3544	5.627	23	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	121.7722	1.964	10	121.3544	5.627	23	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|N<3>}	H(N[5a]C[5a]N[5a])	118.5130	0.000	1	121.3544	5.627	23	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|Se<2>,1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|Se<2>,1|C<3>}	H(N[5a]C[5a]N[5a])	123.1370	0.000	1	121.3544	5.627	23	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	H(N[5a]C[5a]N[5a])	118.9340	0.000	1	121.3544	5.627	23	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){4|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|C<3>}	H(N[5a]C[5a]N[5a])	123.2330	0.000	1	121.3544	5.627	23	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>}	H(N[5a]C[5a]N[5a])	120.9160	0.000	1	120.5897	15.543	41	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,3|C<3>}	H(N[5a]C[5a]N[5a])	116.5055	0.327	2	120.5897	15.543	41	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	H(N[5a]C[5a]N[5a])	123.5110	0.000	1	120.5897	15.543	41	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	H(N[5a]C[5a]N[5a])	121.3538	3.271	10	120.5897	15.543	41	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	H(N[5a]C[5a]N[5a])	124.2070	0.000	1	120.5897	15.543	41	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	H(N[5a]C[5a]N[5a])	120.1967	4.574	20	120.5897	15.543	41	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|N<3>,3|C<3>}	H(N[5a]C[5a]N[5a])	116.5620	0.000	1	120.5897	15.543	41	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|O<2>,3|C<3>}	H(N[5a]C[5a]N[5a])	121.7540	3.368	3	120.5897	15.543	41	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|Se<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|Se<2>,3|C<3>}	H(N[5a]C[5a]N[5a])	118.5610	0.000	1	120.5897	15.543	41	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){4|C<3>}	H(N[5a]C[5a]N[5a])	124.6740	0.000	1	120.5897	15.543	41	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>}	H(N[5a]C[5a]N[5a])	120.6369	4.919	7	121.0286	16.354	12	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	121.5770	2.836	5	121.0286	16.354	12	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	123.2580	0.000	1	121.3129	9.592	10	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	121.0968	3.204	9	121.3129	9.592	10	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	H(N[5a]C[5a]N[5a])	115.8850	0.000	1	115.8850	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>}	H(N[5a]C[5a]N[5a])	117.9393	0.545	3	117.9393	0.297	3	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	H(N[5a]C[5a]N[5a])	119.7603	2.273	3	120.8877	9.373	6	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	H(N[5a]C[5a]N[5a])	122.0150	3.802	3	120.8877	9.373	6	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>}	H(N[5a]C[5a]N[5a])	123.6975	0.087	2	119.7521	15.127	14	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,1|N<3>}	H(N[5a]C[5a]N[5a])	115.6130	6.709	3	119.7521	15.127	14	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>}	H(N[5a]C[5a]N[5a])	120.3820	1.773	2	119.7521	15.127	14	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,1|N<3>}	H(N[5a]C[5a]N[5a])	121.5700	0.000	1	119.7521	15.127	14	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	H(N[5a]C[5a]N[5a])	119.9937	1.817	6	119.7521	15.127	14	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	H(N[5a]C[5a]N[5a])	120.0130	3.707	5	120.7959	11.150	9	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H){2|C<3>,2|H<1>}	H(N[5a]C[5a]N[5a])	121.7745	3.019	4	120.7959	11.150	9	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	H(N[5a]C[5a]N[5a])	122.7135	2.603	4	122.3488	6.464	35	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|H<1>}	H(N[5a]C[5a]N[5a])	122.5877	2.522	27	122.3488	6.464	35	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	H(N[5a]C[5a]N[5a])	120.3713	2.338	4	122.3488	6.464	35	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|Cl<1>,1|N<2>}	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H){1|H<1>,1|N<2>}	H(N[5a]C[5a]N[5a])	120.5000	0.000	1	120.5000	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|Br<1>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|Br<1>,1|H<1>}	H(N[5a]C[5a]N[5a])	118.6290	0.000	1	122.0470	13.122	35	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<2>,1|H<1>}	H(N[5a]C[5a]N[5a])	121.3080	2.559	4	122.0470	13.122	35	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	122.4434	4.392	14	122.0470	13.122	35	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	H(N[5a]C[5a]N[5a])	119.3385	2.225	2	122.0470	13.122	35	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|I<1>}	H(N[5a]C[5a]N[5a])	116.6460	0.000	1	122.0470	13.122	35	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|S<6>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|S<6>}	H(N[5a]C[5a]N[5a])	123.7950	0.116	3	122.0470	13.122	35	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	H(N[5a]C[5a]N[5a])	122.6869	3.294	10	122.0470	13.122	35	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(N[5a]C[5a]N[5a])	117.8990	3.541	4	121.3374	15.671	14	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<4>,1|H<1>}	H(N[5a]C[5a]N[5a])	118.4045	0.515	2	121.3374	15.671	14	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){2|H<1>}	H(N[5a]C[5a]N[5a])	124.7590	0.000	1	121.3374	15.671	14	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){2|H<1>}	H(N[5a]C[5a]N[5a])	124.8997	1.475	4	121.3374	15.671	14	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|H<1>,1|N<3>}	H(N[5a]C[5a]N[5a])	121.9867	3.942	3	121.3374	15.671	14	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	H(N[5a]C[5a]N[5a])	123.6485	0.064	2	123.6485	0.004	2	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|N<3>}	H(N[5a]C[5a]N[5a])	117.4750	0.000	1	117.4750	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H){1|C<3>,1|H<1>,2|N<3>}	H(N[5a]C[5a]N[5a])	124.0970	0.000	1	124.0970	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|N<3>,1|S<2>,2|C<3>}	H(N[5a]C[5a]N[5a])	121.9060	0.000	1	121.9060	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>}	H(N[5a]C[5a]N[5a])	121.9760	1.223	2	122.0712	6.271	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>}	H(N[5a]C[5a]N[5a])	122.1665	4.157	2	122.0712	6.271	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<2>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<2>,1|N<3>}	H(N[5a]C[5a]N[5a])	122.8090	0.000	1	122.3187	8.876	7	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|N<3>}	H(N[5a]C[5a]N[5a])	122.6222	3.483	5	122.3187	8.876	7	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){2|N<3>}	H(N[5a]C[5a]N[5a])	120.3110	0.000	1	122.3187	8.876	7	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]S)(N[5a]C[5a]H){1|C<3>,1|N<3>}	H(N[5a]C[5a]N[5a])	123.4640	0.000	1	123.4640	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	H(N[5a]C[5a]N[5a])	119.8880	0.000	1	119.8880	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>}	H(N[5a]C[5a]N[5a])	122.8720	0.000	1	122.8720	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	H(N[5a]C[5a]N[5a])	124.5690	0.000	1	124.5690	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	H(N[5a]C[5a]N[5a])	121.7905	3.591	4	120.5258	13.474	10	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	H(N[5a]C[5a]N[5a])	117.9510	0.000	1	120.5258	13.474	10	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	H(N[5a]C[5a]N[5a])	121.3267	1.666	3	120.5258	13.474	10	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|N<3>,2|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	H(N[5a]C[5a]N[5a])	118.0825	7.082	2	120.5258	13.474	10	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|P<4>}	H(N[5a]C[5a]N[5a])	120.9620	5.716	2	120.9620	32.676	2	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	H(N[5a]C[5a]N[5a])	119.5450	0.000	1	119.5450	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<3>,2|N<2>}	H(N[5a]C[5a]N[5a])	118.8000	0.000	1	118.8000	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<2>,2|C<3>}	H(N[5a]C[5a]N[5a])	121.4367	2.751	3	122.8700	5.785	10	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	H(N[5a]C[5a]N[5a])	119.0200	0.000	1	122.8700	5.785	10	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	H(N[5a]C[5a]N[5a])	124.2283	0.987	6	122.8700	5.785	10	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	H(N[5a]C[5a]N[5a])	118.2337	2.188	3	118.2337	4.787	3	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	H(N[5a]C[5a]N[5a])	118.0590	0.000	1	118.0590	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>}	H(N[5a]C[5a]N[5a])	119.1330	0.308	2	119.1330	0.095	2	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|S<2>,2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|C<3>}	H(N[5a]C[5a]N[5a])	121.9925	3.761	2	121.9925	14.146	2	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]2)(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	H(N[5a]C[5a]N[5a])	117.5085	1.655	2	117.5085	2.740	2	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<4>,2|N<2>}	H(N[5a]C[5a]N[5a])	122.6870	0.000	1	122.6870	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<4>,2|C<3>}	H(N[5a]C[5a]N[5a])	123.3628	2.310	4	123.3628	5.334	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>}	H(N[5a]C[5a]N[5a])	120.5440	0.554	2	121.1232	6.381	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>}	H(N[5a]C[5a]N[5a])	124.6600	0.000	1	121.1232	6.381	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>}	H(N[5a]C[5a]N[5a])	118.7450	0.000	1	121.1232	6.381	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|C<3>}	H(N[5a]C[5a]N[5a])	124.4410	0.000	1	124.4410	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<4>}	H(N[5a]C[5a]N[5a])	120.6460	5.213	2	120.6460	27.173	2	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|S<2>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|C<4>}	H(N[5a]C[5a]N[5a])	121.9410	0.000	1	121.9410	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H){1|N<2>,2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	H(N[5a]C[5a]N[5a])	121.4140	0.000	1	121.4140	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){1|N<3>,2|C<3>}	H(N[5a]C[5a]N[5a])	118.8210	0.000	1	122.9283	12.653	3	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	H(N[5a]C[5a]N[5a])	124.9820	0.040	2	122.9283	12.653	3	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(H){1|Cl<1>}	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H){1|Cl<1>}	H(N[5a]C[5a]N[5a])	126.6110	0.000	1	126.6110	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>}	H(N[5a]C[5a]N[5a])	118.9030	3.041	2	121.3370	13.092	5	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|H<1>,2|N<2>}	H(N[5a]C[5a]N[5a])	122.9597	3.419	3	121.3370	13.092	5	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>}	H(N[5a]C[5a]N[5a])	121.9690	3.883	2	121.9690	15.081	2	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]2)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]2)(N[5a]C[5a]H){1|H<1>,2|C<3>}	H(N[5a]C[5a]N[5a])	121.1010	0.000	1	121.1010	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|H<1>}	H(N[5a]C[5a]N[5a])	121.5728	3.934	9	121.5728	15.476	9	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>}	H(N[5a]C[5a]N[5a])	124.7260	0.219	2	124.7580	0.557	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H){1|H<1>,2|N<2>}	H(N[5a]C[5a]N[5a])	124.7900	1.273	2	124.7580	0.557	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|H<1>}	H(N[5a]C[5a]N[5a])	120.7957	4.267	3	120.7957	18.203	3	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|H<1>}	H(N[5a]C[5a]N[5a])	126.4785	3.307	2	123.3445	10.475	11	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|H<1>}	H(N[5a]C[5a]N[5a])	122.6481	2.954	9	123.3445	10.475	11	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|S<2>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|H<1>}	H(N[5a]C[5a]N[5a])	121.7575	3.785	4	121.7575	14.328	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|N<3>,2|N<2>}	H(N[5a]C[5a]N[5a])	125.9940	4.012	2	122.4788	14.486	5	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){3|N<2>}	H(N[5a]C[5a]N[5a])	120.1353	0.573	3	122.4788	14.486	5	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<3>,1|N<2>,1|N<3>}	H(N[5a]C[5a]N[5a])	120.6940	0.000	1	123.0350	7.980	10	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,2|C<3>}	H(N[5a]C[5a]N[5a])	123.2951	2.866	9	123.0350	7.980	10	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	H(N[5a]C[5a]N[5a])	121.9760	0.000	1	123.9689	7.590	20	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>}	H(N[5a]C[5a]N[5a])	125.2201	1.775	12	123.9689	7.590	20	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	H(N[5a]C[5a]N[5a])	122.1086	3.230	7	123.9689	7.590	20	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H){1|C<3>,2|N<2>}	H(N[5a]C[5a]N[5a])	125.4980	0.000	1	119.3007	29.200	3	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H){3|N<3>}	H(N[5a]C[5a]N[5a])	116.2020	0.888	2	119.3007	29.200	3	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){1|N<3>,2|C<3>}	H(N[5a]C[5a]N[5a])	129.1110	0.000	1	129.1110	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|N<2>}	H(N[5a]C[5a]N[5a])	123.3745	2.599	2	120.9617	10.541	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|N<3>}	H(N[5a]C[5a]N[5a])	118.5490	1.259	2	120.9617	10.541	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<2>}	H(N[5a]C[5a]N[5a])	121.9400	3.933	2	122.0747	5.791	9	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	H(N[5a]C[5a]N[5a])	125.2600	0.000	1	122.0747	5.791	9	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	H(N[5a]C[5a]N[5a])	121.5887	1.963	6	122.0747	5.791	9	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|S<2>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|N<3>}	H(N[5a]C[5a]N[5a])	122.8850	2.498	4	122.8850	6.239	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]N[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N[5])(N[5a]C[5a])(H){1|C<3>,2|C<4>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,2|C<3>}	H(N[5a]C[5a]N[5a])	125.4250	0.000	1	125.4250	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>}	H(N[5a]C[5a]N[5a])	122.5570	1.839	4	121.1067	7.206	6	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>}	H(N[5a]C[5a]N[5a])	118.2060	0.799	2	121.1067	7.206	6	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>}	H(N[5a]C[5a]N[5a])	121.7288	1.297	6	122.9740	1.437	40	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|H<1>,1|O<1>}	H(N[5a]C[5a]N[5a])	122.0817	2.546	3	122.9740	1.437	40	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|H<1>,1|O<1>}	H(N[5a]C[5a]N[5a])	124.4810	0.000	1	122.9740	1.437	40	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>,1|O<1>}	H(N[5a]C[5a]N[5a])	123.1203	0.120	6	122.9740	1.437	40	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>,1|O<1>}	H(N[5a]C[5a]N[5a])	123.1659	0.691	7	122.9740	1.437	40	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|O<2>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|O<1>,1|O<2>}	H(N[5a]C[5a]N[5a])	123.6220	0.000	1	122.9740	1.437	40	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	H(N[5a]C[5a]N[5a])	123.3348	0.996	16	122.9740	1.437	40	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|N<2>,1|O<1>}	H(N[5a]C[5a]N[5a])	119.8820	3.504	3	119.8820	12.275	3	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<4>,1|O<1>}	H(N[5a]C[5a]N[5a])	122.7120	0.000	1	117.1363	10.087	9	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|H<1>,1|O<1>}	H(N[5a]C[5a]N[5a])	116.4394	2.556	8	117.1363	10.087	9	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|S<2>,2|C<3>}	H(N[5a]C[5a]N[5a])	123.5200	2.556	3	123.5200	6.534	3	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]H){1|O<1>,2|C<3>}	H(N[5a]C[5a]N[5a])	120.7580	0.000	1	120.7580	0.000	1	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H){1|N<2>}	N[5a](C[5a]S[5a]N)(N[5a]C[5a]H){1|O<1>}	H(N[5a]C[5a]N[5a])	123.0510	0.000	1	118.9055	8.438	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]N)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]S[5a]N)(N[5a]C[5a]H){1|O<1>}	H(N[5a]C[5a]N[5a])	117.5237	1.096	3	118.9055	8.438	4	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP2_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]O)(N[5a]C[5a]H)	H(N[5a]C[5a]N[5a])	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H){1|O<2>}	N[5a](C[5a]S[5a]O)(N[5a]C[5a]H){1|O<1>}	H(N[5a]C[5a]N[5a])	120.2203	0.411	3	120.2203	0.169	3	121.3095	11.766	655	121.4057	11.252	821	121.5508	11.199	1124	121.5508	11.199	1124
813	519	951	0:SP3_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:2:	3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	H(N[5a]C[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|N<3>}	H(N[5a]C[5a]N[5a])	119.1170	0.000	1	119.1170	0.000	1	119.1170	0.000	1	119.1170	0.000	1	118.3570	1.155	2	118.3570	1.155	2
813	519	951	0:SP3_SP-NON_SP2	N[5a]	N[5a]	H	3:2:1:	3:3:	3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H)	H(N[5a]C[5a,6]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|O<2>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H){2|C<4>}	H(N[5a]C[5a,6]N[5a])	117.5970	0.000	1	117.5970	0.000	1	117.5970	0.000	1	117.5970	0.000	1	118.3570	1.155	2	118.3570	1.155	2
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:2:	3:2:1:1:	C[5a,6a]-3:N[5a]-2:S-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N-2:O-1:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SNOO)	N[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])	S(N[5a]C[5a,6a]N[5a])(NN)(O)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SNOO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a]){2|C<3>}	S(N[5a]C[5a,6a]N[5a])(NN)(O)2	117.3230	0.000	1	117.3230	0.000	1	117.3230	0.000	1	117.3230	0.000	1	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:2:	3:3:1:1:	C[5a,6a]-3:N[5a]-2:S-4:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SC[6a]OO)	N[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])	S(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SC[6a]OO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a]){2|C<3>}	S(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(O)2	119.9750	0.000	1	119.9750	0.000	1	119.9750	0.000	1	119.2671	4.138	7	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:2:	3:3:1:1:	C[5a,6a]-3:N[5a]-2:S-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:O-1:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SN[5a]OO)	N[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])	S(N[5a]C[5a,6a]N[5a])2(O)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SN[5a]OO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a]){2|C<3>}	S(N[5a]C[5a,6a]N[5a])2(O)2	119.3390	0.000	1	119.3390	0.000	1	119.3390	0.000	1	119.2671	4.138	7	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:2:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(SC[6a]OO)	N[5a](N[5a]C[5a]S)(N[5a]C[5a])	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(SC[6a]OO){1|C<4>}	N[5a](N[5a]C[5a]S)(N[5a]C[5a]){1|C<4>,1|H<1>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	120.8620	0.778	3	120.8620	0.606	3	119.1112	6.051	5	119.2671	4.138	7	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:2:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(SC[6a]OO)	N[5a](N[5a]C[5a]S)(N[5a]C[5a])	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(SC[6a]OO){1|C<3>}	N[5a](N[5a]C[5a]S)(N[5a]C[5a]){1|C<3>,1|N<3>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	116.4850	0.034	2	116.4850	0.001	2	119.1112	6.051	5	119.2671	4.138	7	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:2:	3:4:1:1:	C[5a,6a]-3:N[5a]-2:S-4:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:O-1:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SCOO)	N[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])	S(N[5a]C[5a,6a]N[5a])(CH3)(O)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SCOO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a]){2|C<3>}	S(N[5a]C[5a,6a]N[5a])(CH3)(O)2	120.1220	0.000	1	120.1220	0.000	1	120.1220	0.000	1	120.1220	0.000	1	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a,6]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]S)	S(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(SC[6a]OO){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]S){1|C<4>,3|C<3>}	S(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(O)2	110.9920	0.000	1	110.9920	0.000	1	110.9920	0.000	1	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:O-1:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)	S(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S){2|C<3>}	S(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O)2	115.6590	0.000	1	115.6590	0.000	1	115.6590	0.000	1	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)	S(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S){2|C<3>}	S(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(O)2	118.1480	0.000	1	118.1480	0.000	1	116.7765	3.762	2	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]S)	S(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]S){2|C<3>}	S(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(O)2	115.4050	0.000	1	115.4050	0.000	1	116.7765	3.762	2	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(SC[6a]OO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]S)	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(SC[6a]OO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]S){1|H<1>,1|N<3>,2|C<3>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	116.0760	0.000	1	116.0760	0.000	1	116.0760	0.000	1	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-1:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[5a]OO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]S)	S(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(O)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[5a]OO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]S){1|C<4>,1|H<1>}	S(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(O)2	114.4850	0.000	1	114.4850	0.000	1	114.4850	0.000	1	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:O-1:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S)	S(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(O)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S){2|H<1>}	S(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(O)2	119.1710	0.000	1	119.1710	0.000	1	119.1710	0.000	1	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]S)	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]S){1|C<4>,1|H<1>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	116.4990	0.000	1	116.4990	0.000	1	117.1971	5.269	11	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|C<4>,1|H<1>,2|C<3>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	118.2410	0.000	1	118.2410	0.000	1	117.1971	5.269	11	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO){1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S){1|C<4>,1|H<1>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	116.5340	0.000	1	116.5340	0.000	1	117.1971	5.269	11	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(SC[6a]OO){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|C<4>,3|C<3>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	114.7280	0.000	1	114.7280	0.000	1	117.1971	5.269	11	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|C<4>,1|H<1>,2|C<3>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	118.8520	0.000	1	118.8520	0.000	1	117.1971	5.269	11	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]S)	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]S){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	117.4080	0.000	1	117.4080	0.000	1	117.1971	5.269	11	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|H<1>,1|N<2>,2|C<3>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	113.4950	0.000	1	113.4950	0.000	1	117.1971	5.269	11	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S)	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S){1|C<2>,1|N<3>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	117.3730	0.000	1	117.3730	0.000	1	117.1971	5.269	11	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]S)	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]S){1|C<3>,1|N<3>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	115.4610	0.000	1	115.4610	0.000	1	117.1971	5.269	11	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]S)	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(SC[6a]OO){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]S){1|H<1>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	122.0110	0.000	1	122.0110	0.000	1	117.1971	5.269	11	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]S)	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(SC[6a]OO){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]S){1|N<3>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	118.5660	0.000	1	118.5660	0.000	1	117.1971	5.269	11	116.6169	6.125	18	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP2_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:4:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5,5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:O-1:	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(SCOO)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]S)	S(N[5a]C[5a]N[5a])(CH3)(O)2	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(SCOO){2|C<4>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]S){1|C<4>,1|N<3>,3|H<1>}	S(N[5a]C[5a]N[5a])(CH3)(O)2	117.0950	0.000	1	117.0950	0.000	1	117.0950	0.000	1	117.0950	0.000	1	117.4469	6.365	28	117.4469	6.365	28
813	519	952	0:SP3_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|H<1>,1|N<3>,2|C<3>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	113.5660	0.000	1	114.4765	1.658	2	114.7957	1.135	3	114.7957	1.135	3	114.7957	1.135	3	114.7957	1.135	3
813	519	952	0:SP3_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|N<3>,1|S<2>,2|C<3>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	115.3870	0.000	1	114.4765	1.658	2	114.7957	1.135	3	114.7957	1.135	3	114.7957	1.135	3	114.7957	1.135	3
813	519	952	0:SP3_SP2_SP3	N[5a]	N[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S)	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>}	S(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)2	115.4340	0.000	1	115.4340	0.000	1	114.7957	1.135	3	114.7957	1.135	3	114.7957	1.135	3	114.7957	1.135	3
813	519	956	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-3:H-1:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NCH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	N(N[5a]C[5a]N[5a])(CHO)(H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NCH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|N<3>}	N(N[5a]C[5a]N[5a])(CHO)(H)	121.9470	0.000	1	121.9470	0.000	1	121.9470	0.000	1	121.4129	2.287	9	120.9296	3.311	16	120.9296	3.311	16
813	519	956	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N[5a](N[5a]C[5a]N)(N[5a]C[5a])	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<3>}	N[5a](N[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,1|C<4>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	121.1789	1.654	7	121.3461	2.567	8	121.3461	2.567	8	121.4129	2.287	9	120.9296	3.311	16	120.9296	3.311	16
813	519	956	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N[5a](N[5a]C[5a]N)(N[5a]C[5a])	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<4>}	N[5a](N[5a]C[5a]N)(N[5a]C[5a]){2|C<4>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	122.5170	0.000	1	121.3461	2.567	8	121.3461	2.567	8	121.4129	2.287	9	120.9296	3.311	16	120.9296	3.311	16
813	519	956	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:3:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-3:C-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NCC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	N(N[5a]C[5a]N[5a])(CCO)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NCC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|N<3>}	N(N[5a]C[5a]N[5a])(CCO)2	122.5200	0.000	1	122.5200	0.000	1	122.5200	0.000	1	122.5200	0.000	1	120.9296	3.311	16	120.9296	3.311	16
813	519	956	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a,6a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:O-1:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)	N(N[5a]C[5a,6a]N[5a])(O)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(NOO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N){2|C<3>}	N(N[5a]C[5a,6a]N[5a])(O)2	118.4560	0.000	1	118.4560	0.000	1	118.4560	0.000	1	119.1298	0.360	4	120.9296	3.311	16	120.9296	3.311	16
813	519	956	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:O-1:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(O)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]N){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N(N[5a]C[5a]N[5a])(O)2	119.5125	0.571	2	119.5125	0.326	2	119.3543	0.238	3	119.1298	0.360	4	120.9296	3.311	16	120.9296	3.311	16
813	519	956	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:O-1:O-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(O)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]N){2|H<1>}	N(N[5a]C[5a]N[5a])(O)2	119.0380	0.000	1	119.0380	0.000	1	119.3543	0.238	3	119.1298	0.360	4	120.9296	3.311	16	120.9296	3.311	16
813	519	956	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(CC[6]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NCH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]N){2|H<1>}	N(N[5a]C[5a]N[5a])(CC[6]H)(H)	119.1180	0.000	1	119.1180	0.000	1	119.1180	0.000	1	121.5590	11.917	2	120.9296	3.311	16	120.9296	3.311	16
813	519	956	0:SP2_SP2_SP2	N[5a]	N[5a]	N	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N){1|H<1>}	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	124.0000	0.000	1	124.0000	0.000	1	124.0000	0.000	1	121.5590	11.917	2	120.9296	3.311	16	120.9296	3.311	16
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	2:2:3:	3:2:	3:1:1:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:H-1:	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](N[5a]N[5a]N)(N[5a]C[5a])	N(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|C<3>}	N[5a](N[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	N(N[5a]N[5a]2)(H)2	122.5470	0.000	1	121.8594	2.952	7	121.8594	2.952	7	121.8594	2.952	7	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	2:2:3:	3:2:	3:1:1:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:H-1:	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](N[5a]N[5a]N)(N[5a]C[5a])	N(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|H<1>}	N[5a](N[5a]N[5a]N)(N[5a]C[5a]){1|H<1>}	N(N[5a]N[5a]2)(H)2	121.2660	1.603	5	121.8594	2.952	7	121.8594	2.952	7	121.8594	2.952	7	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	2:2:3:	3:2:	3:1:1:	N[5a]-2:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:H-1:	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](N[5a]N[5a]N)(N[5a]C[5a])	N(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|N<3>}	N[5a](N[5a]N[5a]N)(N[5a]C[5a]){1|N<3>}	N(N[5a]N[5a]2)(H)2	124.1390	0.000	1	121.8594	2.952	7	121.8594	2.952	7	121.8594	2.952	7	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	2:2:3:	3:3:	3:1:1:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:H-1:H-1:	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]N)	N(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]N){1|N<2>,1|N<3>}	N(N[5a]N[5a]2)(H)2	121.9260	0.000	1	121.9260	0.000	1	122.0570	4.348	11	122.0570	4.348	11	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	2:2:3:	3:3:	3:1:1:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:H-1:H-1:	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]H)(N[5a]N[5a]N)	N(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]N[5a]N)	N(N[5a]N[5a]2)(H)2	123.7356	1.234	5	123.7356	1.522	5	122.0570	4.348	11	122.0570	4.348	11	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	2:2:3:	3:3:	3:1:1:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:H-1:H-1:	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]N)	N(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a]N)	N(N[5a]N[5a]2)(H)2	119.9990	0.000	1	119.9990	0.000	1	122.0570	4.348	11	122.0570	4.348	11	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	2:2:3:	3:3:	3:1:1:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:H-1:H-1:	N[5a](N[5a]C[5a])2(NHH)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]N)	N(N[5a]N[5a]2)(H)2	N[5a](N[5a]C[5a])2(NHH){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a]N){1|N<3>}	N(N[5a]N[5a]2)(H)2	120.5060	1.773	4	120.5060	3.142	4	122.0570	4.348	11	122.0570	4.348	11	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:2:	3:1:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]C[5a])	N(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NHH){1|H<1>}	N[5a](N[5a]C[5a]N)(N[5a]C[5a]){2|H<1>}	N(N[5a]C[5a]N[5a])(H)2	120.0400	0.000	1	120.0400	0.000	1	121.0027	7.033	15	121.0027	7.033	15	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:2:	3:1:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:H-1:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]C[5a])	N(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(NHH){1|N<3>}	N[5a](N[5a]C[5a]N)(N[5a]C[5a]){2|N<3>}	N(N[5a]C[5a]N[5a])(H)2	121.5340	4.895	2	121.5340	23.957	2	121.0027	7.033	15	121.0027	7.033	15	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:2:	3:1:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:H-1:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	N(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH){1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|C<3>}	N(N[5a]C[5a]N[5a])(H)2	119.0535	0.685	4	119.6358	2.048	5	121.0027	7.033	15	121.0027	7.033	15	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:2:	3:1:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:H-1:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	N(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH){2|N<2>}	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|C<3>}	N(N[5a]C[5a]N[5a])(H)2	121.9650	0.000	1	119.6358	2.048	5	121.0027	7.033	15	121.0027	7.033	15	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:2:	3:1:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:H-1:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	N(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|C<4>}	N(N[5a]C[5a]N[5a])(H)2	123.5400	0.000	1	123.5400	0.000	1	121.0027	7.033	15	121.0027	7.033	15	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:2:	3:1:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	N(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>}	N(N[5a]C[5a]N[5a])(H)2	120.2047	2.605	3	120.2047	6.787	3	121.0027	7.033	15	121.0027	7.033	15	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:2:	3:1:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:H-1:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	N(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|N<2>}	N(N[5a]C[5a]N[5a])(H)2	124.8350	0.000	1	124.9810	0.043	2	121.0027	7.033	15	121.0027	7.033	15	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:2:	3:1:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:H-1:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	N(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|N<3>}	N(N[5a]C[5a]N[5a])(H)2	125.1270	0.000	1	124.9810	0.043	2	121.0027	7.033	15	121.0027	7.033	15	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:2:	3:1:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:H-1:H-1:	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	N(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(NHH){1|H<1>}	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,1|O<1>}	N(N[5a]C[5a]N[5a])(H)2	119.6380	0.000	1	119.6380	0.000	1	121.0027	7.033	15	121.0027	7.033	15	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N[5a](N[5a]C[5a]N)(N[5a]C[5a])	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<3>}	N[5a](N[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,1|C<4>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	121.0995	1.140	12	121.3726	1.584	15	121.3726	1.584	15	121.3726	1.584	15	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:H-1:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N[5a](N[5a]C[5a]N)(N[5a]C[5a])	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<4>}	N[5a](N[5a]C[5a]N)(N[5a]C[5a]){2|C<4>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	122.4650	1.307	3	121.3726	1.584	15	121.3726	1.584	15	121.3726	1.584	15	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:2:	3:4:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C-4:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NCH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	N(N[5a]C[5a]N[5a])(CCHH)(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NCH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>}	N(N[5a]C[5a]N[5a])(CCHH)(H)	124.0200	0.000	1	124.0200	0.000	1	124.0200	0.000	1	124.0200	0.000	1	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:H-1:H-1:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]N)	N(N[5a]C[5a,5a]N[5a])(H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(NHH){1|N<2>,3|N<3>}	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]N){1|C<3>,1|N<3>}	N(N[5a]C[5a,5a]N[5a])(H)2	118.4070	0.000	1	118.4070	0.000	1	118.4070	0.000	1	119.5493	4.106	15	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:H-1:H-1:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(NHH){1|C<3>,3|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N){1|C<3>,1|N<3>}	N(N[5a]C[5a]N[5a])(H)2	122.8640	0.260	2	122.8640	0.068	2	119.6309	4.314	14	119.5493	4.106	15	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:H-1:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NHH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]N){2|H<1>}	N(N[5a]C[5a]N[5a])(H)2	121.9280	0.000	1	121.9280	0.000	1	119.6309	4.314	14	119.5493	4.106	15	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:H-1:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N){2|N<3>}	N(N[5a]C[5a]N[5a])(H)2	119.7193	3.020	3	119.7193	9.121	3	119.6309	4.314	14	119.5493	4.106	15	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:3:	3:1:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:H-1:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(H)2	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(NHH){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N){1|N<3>}	N(N[5a]C[5a]N[5a])(H)2	118.5023	0.443	8	118.5023	0.196	8	119.6309	4.314	14	119.5493	4.106	15	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N){1|H<1>}	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	123.9390	0.000	1	123.9390	0.000	1	123.9390	0.000	1	123.9390	0.000	1	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(CCHH)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N){1|N<2>,1|N<3>}	N(N[5a]C[5a]N[5a])(CCHH)(H)	121.2207	0.333	3	120.1848	4.366	4	120.1848	4.366	4	120.6026	4.148	5	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(CCHH)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N){2|N<3>}	N(N[5a]C[5a]N[5a])(CCHH)(H)	117.0770	0.000	1	120.1848	4.366	4	120.1848	4.366	4	120.6026	4.148	5	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:3:	3:4:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5]-4:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(NC[5]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(C[5]C[5]2C)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(NC[5]H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]N){1|C<4>,1|O<2>,2|C<3>}	N(N[5a]C[5a]N[5a])(C[5]C[5]2C)(H)	122.2740	0.000	1	122.2740	0.000	1	122.2740	0.000	1	120.6026	4.148	5	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C-4:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(CCHH)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N){4|C<3>}	N(N[5a]C[5a]N[5a])(CCHH)2	119.9590	0.000	1	119.9590	0.000	1	120.8560	2.211	4	120.8560	2.211	4	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C-4:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(CCHH)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|C<2>,1|H<1>,2|C<3>}	N(N[5a]C[5a]N[5a])(CCHH)2	122.0940	0.000	1	122.1175	0.001	2	120.8560	2.211	4	120.8560	2.211	4	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C-4:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(CCHH)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|C<4>,1|H<1>,2|C<3>}	N(N[5a]C[5a]N[5a])(CCHH)2	122.1410	0.000	1	122.1175	0.001	2	120.8560	2.211	4	120.8560	2.211	4	121.0663	4.547	74	121.0663	4.547	74
813	519	956	0:SP2_SP2_SP3	N[5a]	N[5a]	N	3:2:3:	3:3:	3:4:4:	C[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:N[5a]-3:	N[5a]-3:C-4:C-4:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	N(N[5a]C[5a]N[5a])(CCHH)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NCC){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|H<1>,3|C<3>}	N(N[5a]C[5a]N[5a])(CCHH)2	119.2300	0.000	1	119.2300	0.000	1	120.8560	2.211	4	120.8560	2.211	4	121.0663	4.547	74	121.0663	4.547	74
813	519	961	0:SP2_SP2_SP3	N[5a,6]	N[5a]	S[6]	3:4:2:	3:3:	3:2:1:1:	C[5a,6]-3:S[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[6]-2:O-1:O-1:	N[5a,6](C[5a,6]C[5a]O[6])(S[6]N[6]OO)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]S[6])(C[5a]C[5a]C)	S[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)2	N[5a,6](C[5a,6]C[5a]O[6])(S[6]N[6]OO)(N[5a]C[5a]){1|C<3>,2|C<4>}	N[5a](N[5a,6]C[5a,6]S[6])(C[5a]C[5a]C){1|C<4>,1|N<2>,1|O<2>,2|O<1>}	S[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)2{1|N<3>,1|O<2>,2|C<3>}	125.8360	0.000	1	125.8360	0.000	1	125.8360	0.000	1	125.8360	0.000	1	125.8360	0.000	1	125.8360	0.000	1
813	519	983	0:SP2_SP1_SP2	N[5a]	N[5a]	C	3:2:2:	3:2:	3:3:	C[5a]-3:N[5a]-2:C-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a])	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)	120.1160	0.000	1	120.1160	0.000	1	120.1160	0.000	1	120.1160	0.000	1	120.1160	0.000	1	120.1160	0.000	1
813	519	992	0:SP2_SP2_SP3	N[5a]	N[5a]	P	3:2:4:	3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(PN[5a]2O)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]P)	P(N[5a]C[5a]N[5a])3(O)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(PN[5a]2O){2|Br<1>}	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]P){2|Br<1>}	P(N[5a]C[5a]N[5a])3(O)	119.8402	0.827	5	119.8402	0.684	5	119.8402	0.684	5	119.8402	0.684	5	118.7223	6.454	7	118.7223	6.454	7
813	519	992	0:SP2_SP2_SP3	N[5a]	N[5a]	P	3:2:4:	3:3:	3:3:4:1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:C-4:S-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PN[5a]CS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	P(N[5a]C[5a]N[5a])2(CH3)(S)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PN[5a]CS){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	P(N[5a]C[5a]N[5a])2(CH3)(S)	115.9275	3.757	2	115.9275	14.114	2	115.9275	14.114	2	115.9275	14.114	2	118.7223	6.454	7	118.7223	6.454	7
813	537	643	0:SP2_SP2_SP2	N[5a,6a]	O[5a]	C[6,6a]	3:3:2:	3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	O[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)	C[6,6a](N[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	121.0080	0.000	1	121.0080	0.000	1	121.0080	0.000	1	121.0080	0.000	1	121.0080	0.000	1	118.0095	17.982	2
813	537	643	0:SP2_SP2_SP2	N[5a]	O[5a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a](N[5a]C[5a]O[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[6a](N[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	115.0110	0.000	1	115.0110	0.000	1	115.0110	0.000	1	115.0110	0.000	1	115.0110	0.000	1	118.0095	17.982	2
813	537	727	5:SP2_SP2_SP2	N[5a,6a]	O[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	O[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	110.5140	0.000	1	109.5136	8.229	8
813	537	727	5:SP2_SP2_SP2	N[5a]	O[5a]	C[5a,6]	3:2:1:	3:2:	3:3:3:	C[5a,6]-3:O[5a]-2:O-1:	N[5a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(O)	O[5a](N[5a]C[5a,6]O)(N[5a]C[5a,6])	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a]O[5a]O)(C[6]C[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(O){1|C<3>,2|N<3>}	O[5a](N[5a]C[5a,6]O)(N[5a]C[5a,6]){1|C<3>,1|N<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a]O[5a]O)(C[6]C[6]N){1|C<3>,1|N<2>,1|N<3>}	106.1420	0.000	1	106.1420	0.000	1	106.1420	0.000	1	106.1420	0.000	1	106.1420	0.000	1	109.5136	8.229	8
813	537	727	5:SP2_SP2_SP2	N[5a]	O[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(SC[6a]OO)	O[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]S){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]S){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	105.7750	0.000	1	105.7750	0.000	1	105.7750	0.000	1	105.7750	0.000	1	105.7750	0.000	1	109.5136	8.229	8
813	537	727	5:SP2_SP2_SP2	N[5a]	O[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:O[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a]C)(O)	N[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CH3){2|C<3>}	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a]C)(O){1|H<1>,2|C<3>}	113.0155	0.091	2	113.0155	0.008	2	113.0155	0.008	2	113.0155	0.008	2	110.7356	5.948	5	109.5136	8.229	8
813	537	727	5:SP2_SP2_SP2	N[5a]	O[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]O[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|O<1>}	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]O[5a]C)(CH3){1|O<1>}	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	110.7356	5.948	5	109.5136	8.229	8
813	537	727	5:SP2_SP2_SP2	N[5a]	O[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]O[5a])(C[5a]C[5a]H)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[5a](N[5a]C[6a]O[5a])(C[5a]C[5a]H)(O){3|C<3>}	110.7610	0.000	1	110.7610	0.000	1	110.7610	0.000	1	110.7610	0.000	1	110.7356	5.948	5	109.5136	8.229	8
813	537	727	5:SP2_SP2_SP2	N[5a]	O[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](N[5a]C[5a]C[6])(C[5a]C[5a]O)	C[5a](N[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[5a](N[5a]C[5a]C[6])(C[5a]C[5a]O){1|C<4>,1|O<2>,3|H<1>}	C[5a](N[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.2440	0.000	1	107.2440	0.000	1	107.2440	0.000	1	107.2440	0.000	1	110.7356	5.948	5	109.5136	8.229	8
813	537	727	5:SP3_SP2_SP2	N[5a]	O[5a]	C[5a,6a]	3:2:3:	3:3:	3:2:3:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]O[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(CCH){1|O<1>,2|C<3>}	O[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]O[5a]C){1|H<1>,1|O<1>,2|C<3>}	108.3580	0.000	1	108.3580	0.000	1	108.3580	0.000	1	108.3580	0.000	1	108.3580	0.000	1	107.1799	0.819	7
813	537	727	5:SP3_SP2_SP2	N[5a]	O[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]H)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(H){1|C<4>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]H){1|O<1>,2|C<3>,2|H<1>}	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	106.9835	0.658	6	107.1799	0.819	7
813	537	727	5:SP3_SP2_SP2	N[5a]	O[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:O[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:O-1:	N[5a](C[5a]N[5a]O)(O[5a]C[5a])(SCOO)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]S)	C[5a](N[5a]O[5a]S)(N[5a]C[5a])(O)	N[5a](C[5a]N[5a]O)(O[5a]C[5a])(SCOO){1|N<2>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]S){1|O<1>}	C[5a](N[5a]O[5a]S)(N[5a]C[5a])(O){1|N<2>}	106.0580	0.000	1	106.0580	0.000	1	106.0580	0.000	1	106.0580	0.000	1	106.9835	0.658	6	107.1799	0.819	7
813	537	727	5:SP3_SP2_SP2	N[5a]	O[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]C)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	107.0610	0.000	1	107.0610	0.000	1	106.7280	0.222	2	106.7913	0.123	3	106.9835	0.658	6	107.1799	0.819	7
813	537	727	5:SP3_SP2_SP2	N[5a]	O[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]C)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H){1|C<4>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]C){1|O<1>,2|C<3>,2|H<1>}	106.3950	0.000	1	106.3950	0.000	1	106.7280	0.222	2	106.7913	0.123	3	106.9835	0.658	6	107.1799	0.819	7
813	537	727	5:SP3_SP2_SP2	N[5a]	O[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[6]-3:	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a]C)(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3){1|O<1>,3|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]C[5a]C){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a]C)(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	106.9180	0.000	1	106.9180	0.000	1	106.9180	0.000	1	106.7913	0.123	3	106.9835	0.658	6	107.1799	0.819	7
813	537	727	5:SP3_SP2_SP2	N[5a]	O[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](N[5a]C[5a]C[6])(C[5a]C[5a]O)	C[5a](N[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O[5a](N[5a]C[5a]C[6])(C[5a]C[5a]O){1|C<4>,1|O<2>,3|H<1>}	C[5a](N[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.0450	0.000	1	107.0450	0.000	1	107.0450	0.000	1	107.0450	0.000	1	106.9835	0.658	6	107.1799	0.819	7
813	537	863	0:SP2_SP2_SP2	N[5a]	O[5a]	O	3:2:1:	3:2:	3:	C[5a,6]-3:O[5a]-2:O-1:	N[5a]-3:N[5a]-2:	N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(O)	O[5a](N[5a]C[5a,6]O)(N[5a]C[5a,6])	O(N[5a]C[5a,6]O[5a])	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(O){1|C<3>,2|N<3>}	O[5a](N[5a]C[5a,6]O)(N[5a]C[5a,6]){1|C<3>,1|N<3>}	O(N[5a]C[5a,6]O[5a])	117.8080	0.000	1	117.8080	0.000	1	117.8080	0.000	1	117.8080	0.000	1	117.8080	0.000	1	117.8080	0.000	1
813	537	930	0:SP3_SP2_SP2	N[5a]	O[5a]	C	3:2:3:	3:3:	3:3:1:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)	C(N[5a]C[5a,6a]O[5a])(CCH)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(CCH){1|O<1>,2|C<3>}	O[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C(N[5a]C[5a,6a]O[5a])(CCH)(H)	116.4620	0.000	1	116.4620	0.000	1	116.4620	0.000	1	116.4620	0.000	1	116.4620	0.000	1	116.4620	0.000	1
813	537	951	0:SP3_SP-NON_SP2	N[5a]	O[5a]	H	3:2:1:	3:3:	3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	H(N[5a]C[5a]O[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(H){1|C<4>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>}	H(N[5a]C[5a]O[5a])	111.6160	0.000	1	111.6160	0.000	1	111.6160	0.000	1	111.6160	0.000	1	111.6160	0.000	1	111.6160	0.000	1
813	537	952	0:SP2_SP2_SP3	N[5a]	O[5a]	S	3:2:4:	3:3:	3:3:1:1:	C[5a,6a]-3:O[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:O-1:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(SC[6a]OO)	O[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]S)	S(N[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(O)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	O[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]S){2|C<3>}	S(N[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(O)2	108.3250	0.000	1	108.3250	0.000	1	108.3250	0.000	1	108.3250	0.000	1	108.3250	0.000	1	108.3250	0.000	1
813	537	952	0:SP3_SP2_SP3	N[5a]	O[5a]	S	3:2:4:	3:3:	3:4:1:1:	C[5a]-3:O[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C-4:O-1:O-1:	N[5a](C[5a]N[5a]O)(O[5a]C[5a])(SCOO)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]S)	S(N[5a]C[5a]O[5a])(CH3)(O)2	N[5a](C[5a]N[5a]O)(O[5a]C[5a])(SCOO){1|N<2>}	O[5a](C[5a]N[5a]N)(N[5a]C[5a]S){1|O<1>}	S(N[5a]C[5a]O[5a])(CH3)(O)2	110.4670	0.000	1	110.4670	0.000	1	110.4670	0.000	1	110.4670	0.000	1	110.4670	0.000	1	110.4670	0.000	1
813	538	727	5:SP2_SP2_SPD5	N[5,5a,6]	Ge[5,3x6]	C[5,5a]	5:3:3:	3:3:3:3:1:	3:3:3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:F-1:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F)	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F){11|C<3>}	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|F<1>,2|H<1>,2|N<3>,3|C<3>}	117.3140	0.273	2	117.3140	0.074	2	117.3140	0.074	2	117.3140	0.074	2	116.8346	0.286	22	116.8346	0.286	22
813	538	727	5:SP2_SP2_SPD5	N[5,5a,6]	Ge[5,3x6]	C[5,5a]	5:3:3:	3:3:3:3:2:	3:3:3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC)	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC){11|C<3>}	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	116.9863	0.822	6	116.9863	0.676	6	116.8254	0.358	14	116.8254	0.358	14	116.8346	0.286	22	116.8346	0.286	22
813	538	727	5:SP2_SP2_SPD5	N[5,5a,6]	Ge[5,3x6]	C[5,5a]	5:3:3:	3:3:3:3:2:	3:3:3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6])	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,1|N<3>,7|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6]){11|C<3>}	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|C<3>,3|N<3>}	116.7180	0.399	4	116.7180	0.159	4	116.8254	0.358	14	116.8254	0.358	14	116.8346	0.286	22	116.8346	0.286	22
813	538	727	5:SP2_SP2_SPD5	N[5,5a,6]	Ge[5,3x6]	C[5,5a]	5:3:3:	3:3:3:3:2:	3:3:3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH)	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH){11|C<3>}	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	116.6912	0.418	4	116.6912	0.175	4	116.8254	0.358	14	116.8254	0.358	14	116.8346	0.286	22	116.8346	0.286	22
813	538	727	5:SP2_SP2_SPD5	N[5,5a,6]	Ge[5,3x6]	C[5,5a]	5:3:3:	3:3:3:3:3:	3:3:3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|H<1>,2|N<3>,4|C<3>}	116.6875	0.442	2	116.6875	0.195	2	116.6875	0.195	2	116.6875	0.195	2	116.8346	0.286	22	116.8346	0.286	22
813	538	727	5:SP2_SP2_SPD5	N[5,5a,6]	Ge[5,3x6]	C[5,5a]	5:3:3:	3:3:3:3:4:	3:3:3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH)	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH){11|C<3>}	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	116.3550	0.165	2	116.3550	0.027	2	116.7007	0.169	4	116.7007	0.169	4	116.8346	0.286	22	116.8346	0.286	22
813	538	727	5:SP2_SP2_SPD5	N[5,5a,6]	Ge[5,3x6]	C[5,5a]	5:3:3:	3:3:3:3:4:	3:3:3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3)	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3){11|C<3>}	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	117.0465	0.018	2	117.0465	0.000	2	116.7007	0.169	4	116.7007	0.169	4	116.8346	0.286	22	116.8346	0.286	22
813	538	727	6:SP2_SP2_SPD5	N[5,5a,6]	Ge[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:1:	3:3:3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:F-1:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F)	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F){11|C<3>}	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,3|N<3>,4|C<3>}	133.5605	0.375	2	133.5605	0.141	2	133.5605	0.141	2	133.5605	0.141	2	132.8748	0.719	22	127.9108	13.787	66
813	538	727	6:SP2_SP2_SPD5	N[5,5a,6]	Ge[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:2:	3:3:3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC)	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC){11|C<3>}	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	133.3388	0.784	6	133.3388	0.615	6	132.6647	0.894	14	132.6647	0.894	14	132.8748	0.719	22	127.9108	13.787	66
813	538	727	6:SP2_SP2_SPD5	N[5,5a,6]	Ge[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:2:	3:3:3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6])	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]N)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,1|N<3>,7|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6]){11|C<3>}	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]N){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	132.1380	0.972	4	132.1380	0.945	4	132.6647	0.894	14	132.6647	0.894	14	132.8748	0.719	22	127.9108	13.787	66
813	538	727	6:SP2_SP2_SPD5	N[5,5a,6]	Ge[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:2:	3:3:3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH)	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH){11|C<3>}	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	132.1803	0.557	4	132.1803	0.310	4	132.6647	0.894	14	132.6647	0.894	14	132.8748	0.719	22	127.9108	13.787	66
813	538	727	6:SP2_SP2_SPD5	N[5,5a,6]	Ge[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:3:	3:3:3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	133.3175	0.039	2	133.3175	0.002	2	133.3175	0.002	2	133.3175	0.002	2	132.8748	0.719	22	127.9108	13.787	66
813	538	727	6:SP2_SP2_SPD5	N[5,5a,6]	Ge[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:4:	3:3:3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH)	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH){11|C<3>}	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	132.4870	0.024	2	132.4870	0.001	2	133.0457	0.421	4	133.0457	0.421	4	132.8748	0.719	22	127.9108	13.787	66
813	538	727	6:SP2_SP2_SPD5	N[5,5a,6]	Ge[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:4:	3:3:3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3)	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3){11|C<3>}	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	133.6045	0.115	2	133.6045	0.013	2	133.0457	0.421	4	133.0457	0.421	4	132.8748	0.719	22	127.9108	13.787	66
813	538	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ge[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:1:	3:3:3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:F-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(F){11|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,3|N<3>,4|C<3>}	125.8415	1.158	4	125.8415	1.341	4	125.8415	1.341	4	125.8415	1.341	4	125.4289	1.580	44	127.9108	13.787	66
813	538	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ge[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:2:	3:3:3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC){11|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	125.9750	1.292	12	125.9750	1.669	12	125.3780	1.864	28	125.3780	1.864	28	125.4289	1.580	44	127.9108	13.787	66
813	538	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ge[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:2:	3:3:3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6])	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6]){11|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	124.4585	1.606	8	124.4585	2.579	8	125.3780	1.864	28	125.3780	1.864	28	125.4289	1.580	44	127.9108	13.787	66
813	538	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ge[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:2:	3:3:3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH){11|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	125.4019	0.639	8	125.4019	0.408	8	125.3780	1.864	28	125.3780	1.864	28	125.4289	1.580	44	127.9108	13.787	66
813	538	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ge[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:3:	3:3:3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	125.5935	1.013	4	125.5935	1.026	4	125.5935	1.026	4	125.5935	1.026	4	125.4289	1.580	44	127.9108	13.787	66
813	538	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ge[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:4:	3:3:3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CCHH){11|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	125.5018	0.736	4	125.5018	0.541	4	125.3185	1.363	8	125.3185	1.363	8	125.4289	1.580	44	127.9108	13.787	66
813	538	727	6:SP2_SP2_SPD5	N[5a,6,6]	Ge[5,3x6]	C[5a,6]	5:3:3:	3:3:3:3:4:	3:3:3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(CH3){11|C<3>}	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	125.1352	1.597	4	125.1352	2.550	4	125.3185	1.363	8	125.3185	1.363	8	125.4289	1.580	44	127.9108	13.787	66
813	542	643	0:SP2_SP2_SP2	N[5,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6a]-3:C[6]-4:C[5,6]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a](C[5,6a]N[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](N[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6])	C[6a](N[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]N[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5,6](N[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6]){1|N<2>,2|H<1>,5|C<3>}	C[6a](N[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	129.1370	0.000	1	129.1370	0.000	1	129.1370	0.000	1	129.1370	0.000	1	129.1370	0.000	1	129.1370	0.000	1
813	542	643	0:SP2_SP2_SP3	N[5,6a]	N[5,5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,6a]-3:C[5,5]-4:C[5]-4:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a,6a]O)	N[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,5])(O)	N[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a,6a]O){2|C<3>,3|C<4>,5|H<1>}	N[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]CH){1|O<1>,2|C<3>,6|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,5])(O){1|O<2>,3|C<3>,3|C<4>}	121.0160	0.000	1	121.0160	0.000	1	121.0160	0.000	1	121.0160	0.000	1	121.0160	0.000	1	121.0160	0.000	1
813	542	727	0:SP2_SP2_SP2	N[5a]	N[5]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:N[5]-3:C[5a]-3:	N[5a]-3:B[5]-4:C[5]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H)	N[5](N[5a]C[5a,6a]C[5a])(B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H){3|H<1>,6|C<3>}	N[5](N[5a]C[5a,6a]C[5a])(B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H){1|H<1>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H){1|B<4>,2|C<3>,4|H<1>}	123.0820	0.000	1	123.0820	0.000	1	123.0820	0.000	1	123.0820	0.000	1	121.1513	4.188	3	123.8878	2.044	28
813	542	727	0:SP2_SP2_SP2	N[5a]	N[5]	C[5a,6a]	3:3:3:	4:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[5]-3:	B[5]-4:N[5a]-3:C[5]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5]B[5]C[5])	N[5](B[5]C[5,6a]C[6a]2)(N[5a]C[5a,6a]2)(C[5]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5]B[5]C[5]){3|H<1>,8|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(N[5a]C[5a,6a]2)(C[5]C[5,6a]H){10|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	120.1860	1.669	2	120.1860	2.785	2	120.1860	2.785	2	120.1860	2.785	2	121.1513	4.188	3	123.8878	2.044	28
813	542	727	0:SP2_SP2_SP2	N[5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(N[5a]C[5a]2){1|H<1>,5|C<3>}	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H){1|C<4>,3|C<3>}	123.1930	0.000	1	123.1930	0.000	1	124.1780	0.882	21	124.2080	0.812	23	124.2162	0.903	25	123.8878	2.044	28
813	542	727	0:SP2_SP2_SP2	N[5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5]C[5]2){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(N[5a]C[5a]2){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	124.4178	0.733	12	124.4178	0.537	12	124.1780	0.882	21	124.2080	0.812	23	124.2162	0.903	25	123.8878	2.044	28
813	542	727	0:SP2_SP2_SP2	N[5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6]N[5])2(N[5a]C[5a]2){2|Fe<6>,2|H<1>,2|N<3>,4|C<3>}	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	123.8625	0.126	4	123.8625	0.016	4	124.1780	0.882	21	124.2080	0.812	23	124.2162	0.903	25	123.8878	2.044	28
813	542	727	0:SP2_SP2_SP2	N[5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(N[5a]C[5a]2){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	124.0200	1.783	4	124.0200	3.178	4	124.1780	0.882	21	124.2080	0.812	23	124.2162	0.903	25	123.8878	2.044	28
813	542	727	0:SP2_SP2_SP2	N[5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5]-3:	N[5a]-3:C[5]-3:C[5]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(N[5]C[5]2)	N[5](N[5a]C[5a]2)(C[5]N[5]C)2	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5]C[5]2){2|C<4>,2|H<1>,2|N<3>}	N[5](N[5a]C[5a]2)(C[5]N[5]C)2{2|Fe<6>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	124.5240	0.051	2	124.5240	0.003	2	124.5240	0.003	2	124.2080	0.812	23	124.2162	0.903	25	123.8878	2.044	28
813	542	727	0:SP2_SP2_SP2	N[5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(N[5a]C[5a]2){1|H<1>,5|C<3>}	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	125.6840	0.000	1	125.6840	0.000	1	125.6840	0.000	1	125.6840	0.000	1	124.2162	0.903	25	123.8878	2.044	28
813	542	727	0:SP2_SP2_SP2	N[5a]	N[5]	C[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:N[5]-3:C[5a]-3:	N[5a]-3:B[5]-4:C[5]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H)	N[5](N[5a]C[5a,6a]C[5a])(B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)	C[5a](N[5a]C[5a,6a]N[5])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H){3|H<1>,6|C<3>}	N[5](N[5a]C[5a,6a]C[5a])(B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H){1|H<1>,9|C<3>}	C[5a](N[5a]C[5a,6a]N[5])(C[5a]C[5a,6a]H)(H){1|B<4>,3|C<3>}	122.9350	0.000	1	122.9350	0.000	1	122.9350	0.000	1	122.9350	0.000	1	124.2162	0.903	25	123.8878	2.044	28
813	542	727	0:SP2_SP2_SP3	N[5a]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5]C[5]2){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(N[5a]C[5a]2){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	125.0185	1.071	2	125.0185	1.148	2	125.0185	1.148	2	125.0185	1.148	2	125.7207	27.173	8	125.7207	27.173	8
813	542	727	0:SP2_SP2_SP3	N[5a]	N[5]	C[5a]	3:3:3:	4:4:3:	3:2:1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5]-4:C[5]-4:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(N[5]C[5]2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)2(N[5a]C[5a]2){2|N<2>,4|C<3>,6|H<1>}	C[5a](N[5a]C[5a]N[5])(N[5a]N[5a])(H){1|H<1>,2|C<4>}	127.2672	4.071	4	127.2672	16.577	4	127.2672	16.577	4	127.2672	16.577	4	125.7207	27.173	8	125.7207	27.173	8
813	542	727	0:SP2_SP2_SP3	N[5a]	N[5]	C[5a]	3:3:3:	4:4:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5]-4:C[5]-4:N[5a]-3:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(N[5a]C[5a]2)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]N[5])(H)	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(N[5]C[5]2){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)2(N[5a]C[5a]2){1|N<3>,5|C<3>,6|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]N[5])(H){2|C<3>,2|C<4>,2|H<1>}	115.6700	0.000	1	115.6700	0.000	1	115.6700	0.000	1	123.3300	117.351	2	125.7207	27.173	8	125.7207	27.173	8
813	542	727	0:SP2_SP2_SP3	N[5a]	N[5]	C[5a]	3:3:3:	4:4:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5]-4:C[5]-4:N[5a]-3:	N[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]N[5])(H)	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(N[5]C[5]2){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)2(N[5a]C[5a]2){1|N<3>,5|C<3>,6|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]N[5])(H){1|H<1>,2|C<4>,3|C<3>}	130.9900	0.000	1	130.9900	0.000	1	130.9900	0.000	1	123.3300	117.351	2	125.7207	27.173	8	125.7207	27.173	8
813	542	727	0:SP3_SP2_SP2	N[5a]	N[5]	C[5a,6a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:N[5]-3:C[5a]-3:	N[5a]-3:B[5]-4:C[5]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H)	N[5](N[5a]C[5a,6a]C[5a])(B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H){3|H<1>,6|C<3>}	N[5](N[5a]C[5a,6a]C[5a])(B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H){1|H<1>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H){1|B<4>,2|C<3>,4|H<1>}	120.0350	0.000	1	120.0350	0.000	1	120.0350	0.000	1	120.0350	0.000	1	120.0350	0.000	1	121.5632	1.851	4
813	542	727	0:SP3_SP2_SP2	N[5a]	N[5]	C[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:N[5]-3:C[5a]-3:	N[5a]-3:B[5]-4:C[5]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H)	N[5](N[5a]C[5a,6a]C[5a])(B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)	C[5a](N[5a]C[5a,6a]N[5])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H){3|H<1>,6|C<3>}	N[5](N[5a]C[5a,6a]C[5a])(B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H){1|H<1>,9|C<3>}	C[5a](N[5a]C[5a,6a]N[5])(C[5a]C[5a,6a]H)(H){1|B<4>,3|C<3>}	120.9700	0.000	1	120.9700	0.000	1	120.9700	0.000	1	120.9700	0.000	1	122.0727	1.220	3	121.5632	1.851	4
813	542	727	0:SP3_SP2_SP2	N[5a]	N[5]	C[5a]	3:3:3:	3:4:3:	3:3:4:	C[5a]-3:C[5a]-3:N[5]-3:	N[5a]-3:C[5]-4:C[5]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(N[5]C[5]2)	N[5](N[5a]C[5a]2)(C[5]C[5]CH)(C[5]C[5]C)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(N[5]C[5]2){1|H<1>,2|C<3>,4|C<4>}	N[5](N[5a]C[5a]2)(C[5]C[5]CH)(C[5]C[5]C){2|C<3>,4|C<4>}	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(CH3){1|C<3>,3|C<4>}	122.6240	0.785	2	122.6240	0.616	2	122.6240	0.616	2	122.6240	0.616	2	122.0727	1.220	3	121.5632	1.851	4
813	542	727	5:SP2_SP2_SP2	N[5,6a]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:2:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6a]-3:C[6]-4:C[5,6]-3:	N[5,6a]-3:N[5]-2:N[6a]-2:	N[5,6a](C[5,6a]N[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](N[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6])	C[5,6a](N[5,6a]N[5,6]C[6a])(N[5]C[5,6])(N[6a]C[6a])	N[5,6a](C[5,6a]N[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5,6](N[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6]){1|N<2>,2|H<1>,5|C<3>}	C[5,6a](N[5,6a]N[5,6]C[6a])(N[5]C[5,6])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	106.3550	0.000	1	106.3550	0.000	1	106.3550	0.000	1	106.3550	0.000	1	106.3550	0.000	1	106.3550	0.000	1
813	542	727	5:SP2_SP2_SP3	N[5,6a]	N[5,5]	C[5,6a]	3:3:3:	3:4:4:	3:3:4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a,6a]O)	N[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]CH)	C[5,6a](N[5,6a]N[5,5]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH)	N[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a,6a]O){2|C<3>,3|C<4>,5|H<1>}	N[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]CH){1|O<1>,2|C<3>,6|H<1>}	C[5,6a](N[5,6a]N[5,5]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.5220	0.000	1	113.5220	0.000	1	113.5220	0.000	1	113.5220	0.000	1	113.5220	0.000	1	113.5220	0.000	1
813	542	727	6:SP2_SP2_SP2	N[5a,6]	N[5,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-3:C[5]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(N[5,6]C[5,6]C[5])(C[5a]N[5a]Ir)	N[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]N[5]Ir)	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a]C[6])(N[5,6]C[5,6]C[5])(C[5a]N[5a]Ir){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]N[5]Ir){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	123.1410	0.000	1	123.1410	0.000	1	122.7930	0.242	2	122.7930	0.242	2	122.7930	0.242	2	122.7930	0.242	2
813	542	727	6:SP2_SP2_SP2	N[5a,6]	N[5,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5,6]-3:C[5a]-3:	N[5a,6]-3:C[5,6]-3:C[5]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a]C[6])(N[5,6]C[5,6]C[5])(C[5a]N[5a]Rh)	N[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]N[5]Rh)	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a]C[6])(N[5,6]C[5,6]C[5])(C[5a]N[5a]Rh){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]N[5]Rh){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	122.4450	0.000	1	122.4450	0.000	1	122.7930	0.242	2	122.7930	0.242	2	122.7930	0.242	2	122.7930	0.242	2
813	578	643	0:SP2_SP2_SPD6	N[5,6a]	Ga[5,5]	C[6a]	3:6:3:	3:3:3:3:1:1:	3:3:1:	C[5,6a,6a]-3:Ga[5,5]-6:C[6a]-3:	N[5,6a]-3:N[5,6]-3:N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5,5]N[5,6]3Cl2)(C[6a]C[6a]H)	Ga[5,5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])3(Cl)2	C[6a](N[5,6a]C[5,6a,6a]Ga[5,5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5,5]N[5,6]3Cl2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	Ga[5,5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])3(Cl)2{4|H<1>,8|C<3>}	C[6a](N[5,6a]C[5,6a,6a]Ga[5,5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,2|C<3>,3|N<3>}	129.0090	0.000	1	129.0090	0.000	1	129.0090	0.000	1	129.0090	0.000	1	129.0090	0.000	1	127.8175	2.839	2
813	578	643	0:SP2_SP2_SPD6	N[5,6a]	Ga[5]	C[6a]	3:6:3:	3:3:3:1:1:1:	3:3:1:	C[5,6a,6a]-3:Ga[5]-6:C[6a]-3:	N[5,6a]-3:N[5,6]-3:O-3:F-1:F-1:F-1:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5]N[5,6]F3O)(C[6a]C[6a]H)	Ga[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(OHH)(F)3	C[6a](N[5,6a]C[5,6a,6a]Ga[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5]N[5,6]F3O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	Ga[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(OHH)(F)3{2|H<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a,6a]Ga[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>,3|F<1>}	126.6260	0.000	1	126.6260	0.000	1	126.6260	0.000	1	126.6260	0.000	1	126.6260	0.000	1	127.8175	2.839	2
813	578	727	5:SP2_SP2_SPD6	N[5,6a]	Ga[5,5]	C[5,6a,6a]	3:6:3:	3:3:3:3:1:1:	3:3:3:	C[5,6a,6a]-3:Ga[5,5]-6:C[6a]-3:	N[5,6a]-3:N[5,6]-3:N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5,5]N[5,6]3Cl2)(C[6a]C[6a]H)	Ga[5,5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])3(Cl)2	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Ga[5,5]C[6a])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5,5]N[5,6]3Cl2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	Ga[5,5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])3(Cl)2{4|H<1>,8|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Ga[5,5]C[6a])(C[6a,6a]C[6a]2){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	112.6130	0.000	1	112.6130	0.000	1	112.6130	0.000	1	112.6130	0.000	1	112.6130	0.000	1	113.5410	1.722	2
813	578	727	5:SP2_SP2_SPD6	N[5,6a]	Ga[5]	C[5,6a,6a]	3:6:3:	3:3:3:1:1:1:	3:3:3:	C[5,6a,6a]-3:Ga[5]-6:C[6a]-3:	N[5,6a]-3:N[5,6]-3:O-3:F-1:F-1:F-1:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5]N[5,6]F3O)(C[6a]C[6a]H)	Ga[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(OHH)(F)3	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5]N[5,6]F3O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	Ga[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(OHH)(F)3{2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2){1|O<3>,3|F<1>,3|H<1>,4|C<3>}	114.4690	0.000	1	114.4690	0.000	1	114.4690	0.000	1	114.4690	0.000	1	114.4690	0.000	1	113.5410	1.722	2
813	598	727	0:SP2_SP2_SP2	N[5a]	Si[4]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:Si[4]-3:	N[5a]-3:N[4]-3:N[4]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(Si[4]N[4]2)	Si[4](N[5a]C[5a]2)(N[4]C[4]C)2	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(Si[4]N[4]2){1|C<3>,2|C<4>,2|H<1>}	Si[4](N[5a]C[5a]2)(N[4]C[4]C)2{1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|N<3>}	127.0980	0.000	1	127.0980	0.000	1	127.0980	0.000	1	127.0980	0.000	1	126.3650	1.075	2	126.3650	1.075	2
813	598	727	0:SP2_SP2_SP2	N[5a]	Si[4]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:Si[4]-3:	N[5a]-3:N[4]-3:N[4]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(Si[4]N[4]2)	Si[4](N[5a]C[5a]2)(N[4]C[4]C)2	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(Si[4]N[4]2){1|C<3>,2|C<4>,2|H<1>}	Si[4](N[5a]C[5a]2)(N[4]C[4]C)2{1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP){2|H<1>,2|N<3>}	125.6320	0.000	1	125.6320	0.000	1	125.6320	0.000	1	125.6320	0.000	1	126.3650	1.075	2	126.3650	1.075	2
813	602	727	0:SP2_SP2_SPD6	N[5a,6]	Ga[3x6]	C[5a]	3:6:3:	3:3:3:3:3:3:	3:3:1:	C[5a,6]-3:Ga[3x6]-6:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:N[5a,6]-3:N[5a,6]-3:N[5a,6]-3:N[5a,6]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[5a,6]C[5a]C[6])(Ga[3x6]N[5a,6]5)(C[5a]C[5a]H)	Ga[3x6](N[5a,6]C[5a,6]C[5a])6	C[5a](N[5a,6]C[5a,6]Ga[3x6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(Ga[3x6]N[5a,6]5)(C[5a]C[5a]H){11|C<3>,2|H<1>}	Ga[3x6](N[5a,6]C[5a,6]C[5a])6{15|C<3>,6|H<1>}	C[5a](N[5a,6]C[5a,6]Ga[3x6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,5|N<3>}	126.0096	0.454	11	126.0096	0.207	11	126.0096	0.207	11	126.0096	0.207	11	126.0096	0.207	11	126.0096	0.207	11
813	602	727	6:SP2_SP2_SPD6	N[5a,6,6]	Ga[4x6]	C[5a,6]	6:3:3:	3:3:3:3:1:1:	3:3:3:	Ga[4x6]-6:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-1:O-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ga[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a]C[6])2	Ga[4x6](N[5a,6,6]C[5a,6]2)4(O)2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	Ga[4x6](N[5a,6,6]C[5a,6]2)4(O)2{12|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<1>,3|N<3>,4|C<3>}	126.5420	0.793	4	126.5420	0.628	4	126.5420	0.628	4	126.5420	0.628	4	126.5895	0.400	12	126.9063	0.922	24
813	602	727	6:SP2_SP2_SPD6	N[5a,6,6]	Ga[4x6]	C[5a,6]	6:3:3:	3:3:3:3:3:2:	3:3:3:	Ga[4x6]-6:C[5a,6]-3:C[5a,6]-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-3:O-2:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	N[5a,6,6](Ga[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a]C[6])2	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OCH)(OC)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	Ga[4x6](N[5a,6,6]C[5a,6]2)4(OCH)(OC){12|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,1|O<3>,3|N<3>,4|C<3>}	126.6132	0.597	8	126.6132	0.357	8	126.6132	0.357	8	126.6132	0.357	8	126.5895	0.400	12	126.9063	0.922	24
813	602	727	6:SP2_SP2_SPD6	N[5a,6]	Ga[3x6]	C[5a,6]	3:6:3:	3:3:3:3:3:3:	3:3:3:	C[5a,6]-3:Ga[3x6]-6:C[5a]-3:	N[5a,6]-3:N[5a,6]-3:N[5a,6]-3:N[5a,6]-3:N[5a,6]-3:N[5a,6]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a]C[6])(Ga[3x6]N[5a,6]5)(C[5a]C[5a]H)	Ga[3x6](N[5a,6]C[5a,6]C[5a])6	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(Ga[3x6]N[5a,6]5)(C[5a]C[5a]H){11|C<3>,2|H<1>}	Ga[3x6](N[5a,6]C[5a,6]C[5a])6{15|C<3>,6|H<1>}	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	127.2232	1.144	12	127.2232	1.308	12	127.2232	1.308	12	127.2232	1.308	12	127.2232	1.308	12	126.9063	0.922	24
813	606	727	0:SP2_SP2_SP3	N[5a]	Ge[5]	C[5a]	4:3:3:	3:3:3:1:	3:3:1:	Ge[5]-4:C[5a]-3:C[5a]-3:	N[5a]-3:N[5]-3:N[5]-3:S-1:	N[5a]-3:C[5a]-3:H-1:	N[5a](Ge[5]N[5]2S)(C[5a]C[5a]H)2	Ge[5](N[5a]C[5a]2)(N[5]C[5]C)2(S)	C[5a](N[5a]C[5a]Ge[5])(C[5a]C[5a]H)(H)	N[5a](Ge[5]N[5]2S)(C[5a]C[5a]H)2{2|C<3>,2|C<4>,2|H<1>}	Ge[5](N[5a]C[5a]2)(N[5]C[5]C)2(S){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]Ge[5])(C[5a]C[5a]H)(H){1|S<1>,2|H<1>,2|N<3>}	125.8187	0.356	4	125.8187	0.127	4	125.8187	0.127	4	125.8187	0.127	4	125.6875	0.140	6	125.6875	0.140	6
813	606	727	0:SP2_SP2_SP3	N[5a]	Ge[5]	C[5a]	4:3:3:	3:3:3:2:	3:3:1:	Ge[5]-4:C[5a]-3:C[5a]-3:	N[5a]-3:N[5]-3:N[5]-3:O-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](Ge[5]N[5]2O)(C[5a]C[5a]H)2	Ge[5](N[5a]C[5a]2)(N[5]C[5]C)2(OB)	C[5a](N[5a]C[5a]Ge[5])(C[5a]C[5a]H)(H)	N[5a](Ge[5]N[5]2O)(C[5a]C[5a]H)2{2|C<3>,2|C<4>,2|H<1>}	Ge[5](N[5a]C[5a]2)(N[5]C[5]C)2(OB){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]Ge[5])(C[5a]C[5a]H)(H){1|O<2>,2|H<1>,2|N<3>}	125.4250	0.339	2	125.4250	0.115	2	125.4250	0.115	2	125.4250	0.115	2	125.6875	0.140	6	125.6875	0.140	6
813	610	679	0:SP2_SP3_SP3	N[5a]	B	B[5a]	3:4:4:	3:1:1:1:	3:3:1:1:	C[5a]-3:B[5a]-4:B-4:	N[5a]-3:F-1:F-1:F-1:	N[5a,6a]-3:N[5a]-3:F-1:F-1:	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]FF)(BF3)	B(N[5a]B[5a]C[5a])(F)3	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)(F)2	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]FF)(BF3){4|C<3>}	B(N[5a]B[5a]C[5a])(F)3	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)(F)2{1|H<1>,3|C<3>}	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a,6]	3:3:4:	3:3:3:2:	3:3:3:	C[5a,6]-3:C[5a]-3:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-2:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H)	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HIr)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ir)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H){1|Ir<7>,1|H<1>,2|C<3>}	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HIr)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ir){1|C<3>,4|H<1>}	125.1340	0.822	2	125.1340	0.675	2	125.2290	0.454	4	125.2290	0.454	4	126.6129	1.141	18	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a,6]	3:3:4:	3:3:3:2:	3:3:3:	C[5a,6]-3:C[5a]-3:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-2:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H)	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HRh)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H){1|Rh<7>,1|H<1>,2|C<3>}	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HRh)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh){1|C<3>,4|H<1>}	125.3240	0.806	2	125.3240	0.650	2	125.2290	0.454	4	125.2290	0.454	4	126.6129	1.141	18	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a,6]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6]-3:C[5a]-3:B-4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH)	B(N[5a]C[5a,6]C[5a])2(CH3)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Li)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH){1|Li<4>,1|H<1>,2|C<3>}	B(N[5a]C[5a,6]C[5a])2(CH3)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Li){1|C<3>,4|H<1>}	126.9545	0.856	2	126.9545	0.733	2	126.9545	0.733	2	126.9545	0.733	2	126.6129	1.141	18	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a,6]	3:3:4:	3:3:4:2:	3:3:3:	C[5a,6]-3:C[5a]-3:B-4:	N[5a]-3:N[5a]-3:C-4:H-2:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH)	B(N[5a]C[5a,6]C[5a])2(CH3)(HRh)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH){1|Rh<7>,1|H<1>,2|C<3>}	B(N[5a]C[5a,6]C[5a])2(CH3)(HRh)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh){1|C<3>,4|H<1>}	127.3683	0.456	6	127.3683	0.208	6	127.3683	0.208	6	127.3683	0.208	6	126.6129	1.141	18	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a,6]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6]-3:B-4:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	B(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6]C[5a])2(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Li)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Li<4>,1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6]C[5a])2(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Li){1|C<3>,4|H<1>}	126.3570	1.520	2	126.3570	2.311	2	126.3570	2.311	2	126.6782	1.380	4	126.6129	1.141	18	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a,6]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6]-3:B-4:C[5a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Li)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Li<4>,1|H<1>,2|C<3>}	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Li){1|C<3>,4|H<1>}	126.9995	1.190	2	126.9995	1.416	2	126.9995	1.416	2	126.6782	1.380	4	126.6129	1.141	18	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a,6]	3:4:3:	3:3:3:2:	3:3:3:	C[5a,6]-3:B-4:C[5a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:H-2:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(HRh)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Rh<7>,1|H<1>,2|C<3>}	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(HRh)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh){1|C<3>,4|H<1>}	126.6420	0.890	2	126.6420	0.791	2	126.6420	0.791	2	126.6420	0.791	2	126.6129	1.141	18	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a,6a]	3:2:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a,6a]N[5a])2(N[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|F<1>,3|C<3>}	B(N[5a]C[5a,6a]N[5a])2(N[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B){2|C<3>,2|F<1>}	128.7720	0.841	2	128.7720	0.708	2	128.4554	2.643	17	128.4554	2.643	17	128.4940	7.141	22	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a,6a]	3:2:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a,6a]N[5a])3(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|F<1>,2|C<3>}	B(N[5a]C[5a,6a]N[5a])3(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B){1|C<3>,1|C<4>,2|F<1>}	127.1192	1.070	6	128.4132	2.953	15	128.4554	2.643	17	128.4554	2.643	17	128.4940	7.141	22	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a,6a]	3:2:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a,6a]N[5a])3(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|F<1>,3|C<3>}	B(N[5a]C[5a,6a]N[5a])3(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B){2|C<3>,2|F<1>}	129.2759	1.536	9	128.4132	2.953	15	128.4554	2.643	17	128.4554	2.643	17	128.4940	7.141	22	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a,6a]	3:3:4:	3:3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H)	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HIr)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H){1|H<1>,2|C<3>}	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HIr)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a]){1|C<3>,4|H<1>}	133.3760	0.000	1	133.3760	0.000	1	133.6315	0.131	2	133.6315	0.131	2	128.4940	7.141	22	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a,6a]	3:3:4:	3:3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H)	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HRh)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H){1|H<1>,2|C<3>}	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HRh)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a]){1|C<3>,4|H<1>}	133.8870	0.000	1	133.8870	0.000	1	133.6315	0.131	2	133.6315	0.131	2	128.4940	7.141	22	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:B-4:	N[5a]-3:C[6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(BC[6a]2N[6])	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(BC[6a]2N[6]){2|H<1>,4|C<3>}	B(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	125.7010	4.781	2	125.7010	22.862	2	125.7010	22.862	2	125.2873	11.945	3	128.4940	7.141	22	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:B-4:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]3)	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]3){2|C<3>,2|H<1>}	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,4|H<1>}	124.4600	0.000	1	124.4600	0.000	1	124.4600	0.000	1	125.2873	11.945	3	128.4940	7.141	22	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:2:1:1:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:C-2:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BCHH)	B(N[5a]C[5a]N[5a])(CN)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BCHH){1|H<1>}	B(N[5a]C[5a]N[5a])(CN)(H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]B)(H)	129.0660	0.000	1	129.0660	0.000	1	129.0660	0.000	1	129.0660	0.000	1	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5]HH)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5]HH){1|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H){1|H<1>}	128.1940	0.000	1	128.1940	0.000	1	128.1940	0.000	1	128.9863	0.681	3	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:1:1:	3:2:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH)	B(N[5a]C[5a]N[5a])2(H)2	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH){1|H<1>}	B(N[5a]C[5a]N[5a])2(H)2	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H){1|H<1>}	129.3825	0.648	2	129.3825	0.420	2	129.3825	0.420	2	128.9863	0.681	3	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:1:1:	3:2:3:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(BN[5a]HH)	B(N[5a]C[5a]N[5a])2(H)2	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(BN[5a]HH){1|N<3>}	B(N[5a]C[5a]N[5a])2(H)2	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(NOO){1|N<3>}	134.0468	0.566	6	134.0468	0.320	6	134.0468	0.320	6	134.0468	0.320	6	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:1:1:	3:2:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:C[5]-3:H-1:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(BC[5]HH)	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](N[5a]N[5a]B)(N[5a]N[5a])(CCFF)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(BC[5]HH)	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](N[5a]N[5a]B)(N[5a]N[5a])(CCFF)	133.2270	0.000	1	133.2270	0.000	1	133.2270	0.000	1	133.2270	0.000	1	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BC[5]HH)	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BC[5]HH){1|C<3>}	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(H)	129.9470	0.000	1	129.9470	0.000	1	129.9470	0.000	1	128.6216	1.589	5	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:1:1:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH)	B(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH){1|C<3>,1|H<1>}	B(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	128.2903	1.178	4	128.2903	1.387	4	128.2903	1.387	4	128.6216	1.589	5	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(BC[5]HH)	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]B)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(BC[5]HH){3|C<3>}	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]B){2|C<3>,2|H<1>}	131.7710	0.000	1	131.7710	0.000	1	131.7710	0.000	1	130.3677	2.283	3	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH)	B(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH){4|C<3>}	B(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B){3|F<1>,4|C<3>}	129.6660	1.270	2	129.6660	1.613	2	129.6660	1.613	2	130.3677	2.283	3	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:C[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(BC[5]HH)	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(BC[5]HH){1|C<3>}	B(N[5a]C[5a]N[5a])(C[5]N[5]2)(H)2	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(CH3)	130.8080	0.000	1	130.8080	0.000	1	130.8080	0.000	1	131.3183	0.238	4	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3){1|C<4>}	131.6930	0.000	1	131.6930	0.000	1	131.7345	0.003	2	131.3183	0.238	4	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3){1|C<4>}	131.7760	0.000	1	131.7760	0.000	1	131.7345	0.003	2	131.3183	0.238	4	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:1:1:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH)	B(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])2(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3){1|C<4>}	130.9960	0.000	1	130.9960	0.000	1	130.9960	0.000	1	131.3183	0.238	4	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:2:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H){1|H<1>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H){1|H<1>}	128.8473	2.291	3	128.8473	5.251	3	128.8473	5.251	3	128.8473	5.251	3	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:2:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<3>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3){1|C<3>}	132.6110	0.000	1	130.7970	3.037	4	130.7970	3.037	4	130.7970	3.037	4	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:2:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3){1|C<4>}	130.1923	1.537	3	130.7970	3.037	4	130.7970	3.037	4	130.7970	3.037	4	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(BN[5]2H)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(Br)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(BN[5]2H){2|Br<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(Br){1|Br<1>}	128.5970	0.000	1	128.5970	0.000	1	128.5970	0.000	1	126.7274	5.626	50	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	B(N[5a]C[5a]N[5a])(N[5]C[5]2)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){2|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]2)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	125.4082	0.873	5	125.4082	0.763	5	126.0195	1.240	12	126.7274	5.626	50	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){1|Br<1>,1|C<4>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(H){1|C<4>}	126.1000	0.000	1	126.1000	0.000	1	126.0195	1.240	12	126.7274	5.626	50	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){2|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	126.5155	1.203	6	126.5155	1.447	6	126.0195	1.240	12	126.7274	5.626	50	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(H){1|C<3>}	124.8467	0.724	3	124.8467	0.524	3	126.9064	6.982	37	126.7274	5.626	50	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<3>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H){1|C<3>}	125.1887	0.013	3	124.7812	0.664	4	126.9064	6.982	37	126.7274	5.626	50	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<4>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H){1|C<4>}	123.5590	0.000	1	124.7812	0.664	4	126.9064	6.982	37	126.7274	5.626	50	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	126.6464	1.912	16	127.3957	7.253	30	126.9064	6.982	37	126.7274	5.626	50	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	127.3555	1.212	8	127.3957	7.253	30	126.9064	6.982	37	126.7274	5.626	50	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){2|H<1>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	129.4475	4.711	6	127.3957	7.253	30	126.9064	6.982	37	126.7274	5.626	50	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]2H)	B(N[5a]C[5a,6a]N[5a])2(N[5a]C[5a]N[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]2H){4|C<3>}	B(N[5a]C[5a,6a]N[5a])2(N[5a]C[5a]N[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B){3|F<1>,4|C<3>}	125.7380	0.000	1	125.7380	0.000	1	125.7380	0.000	1	127.5298	2.526	5	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]B)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){2|Br<1>,2|C<3>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]B){1|Br<1>,2|C<3>,2|H<1>}	128.4113	1.384	3	128.4113	1.917	3	127.9778	2.030	4	127.5298	2.526	5	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]B)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>,2|C<3>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]B){2|C<3>,3|C<4>}	126.6770	0.000	1	126.6770	0.000	1	127.9778	2.030	4	127.5298	2.526	5	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|Cl<1>,1|C<4>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]B)(CH3){1|C<4>}	131.1040	0.000	1	131.1040	0.000	1	130.7822	5.456	31	129.5674	4.130	75	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH){1|C<4>}	131.6393	3.061	7	131.6393	9.368	7	130.7822	5.456	31	129.5674	4.130	75	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<3>,1|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<3>}	129.7346	2.533	7	130.5073	4.568	23	130.7822	5.456	31	129.5674	4.130	75	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	130.8454	1.932	16	130.5073	4.568	23	130.7822	5.456	31	129.5674	4.130	75	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<4>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CF3){1|C<4>}	129.0263	1.007	3	129.0263	1.015	3	128.7116	1.487	44	129.5674	4.130	75	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CH3){1|C<3>}	127.6810	0.024	2	127.6810	0.001	2	128.7116	1.487	44	129.5674	4.130	75	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH){1|C<4>}	129.2403	1.310	4	129.2403	1.716	4	128.7116	1.487	44	129.5674	4.130	75	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3){1|C<4>}	130.2480	0.700	2	130.2480	0.490	2	128.7116	1.487	44	129.5674	4.130	75	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<3>}	128.6005	1.363	22	128.5882	1.485	33	128.7116	1.487	44	129.5674	4.130	75	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	128.5635	0.921	11	128.5882	1.485	33	128.7116	1.487	44	129.5674	4.130	75	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	4:3:3:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]B)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H){1|Fe<10>,1|H<1>,3|C<4>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]B){2|H<1>,3|C<4>}	131.8990	0.000	1	131.3250	0.659	2	131.3250	0.659	2	131.3250	0.659	2	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:1:	4:3:3:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H)	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]B)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H){1|Fe<10>,2|C<4>,2|H<1>}	B(N[5a]C[5a]N[5a])3(H)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]B){2|C<4>,3|H<1>}	130.7510	0.000	1	131.3250	0.659	2	131.3250	0.659	2	131.3250	0.659	2	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5]-3:N[5]-3:N[5]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]3)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]3){2|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	127.3968	1.552	6	127.3968	2.410	6	127.3968	2.410	6	127.8041	2.680	10	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]3)	B(N[5a]C[5a]N[5a])4	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]3){1|C<3>,1|H<1>}	B(N[5a]C[5a]N[5a])4	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	128.4150	1.787	4	128.4150	3.193	4	128.4150	3.193	4	127.8041	2.680	10	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:4:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C)	B(N[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	128.5096	0.685	5	128.5096	0.470	5	128.5096	0.470	5	128.5096	0.470	5	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:2:4:	3:3:3:4:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2C)	B(N[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])3(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	131.7773	2.050	3	131.7773	4.202	3	131.7773	4.202	3	131.7773	4.202	3	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a]-3:C[5a]-3:B-4:	N[5a]-3:O-2:F-1:F-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(BFFO)	B(N[5a]C[5a]2)(OC[6])(F)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]B)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(BFFO){2|C<3>,2|H<1>}	B(N[5a]C[5a]2)(OC[6])(F)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]B)(H){1|C<3>,1|H<1>}	125.6075	0.173	2	125.6075	0.030	2	125.6075	0.030	2	125.6075	0.030	2	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:C[5a]-3:B-4:	N[5a]-3:O-2:F-1:F-1:	C[5]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(BFFO)	B(N[5a]C[5a]2)(OC[6])(F)2	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]B)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(BFFO){2|C<3>,2|H<1>}	B(N[5a]C[5a]2)(OC[6])(F)2	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]B){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	126.3955	0.021	2	126.3955	0.000	2	126.3955	0.000	2	126.3955	0.000	2	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:B-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]U)(BN[5]2H)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]U)(BN[5]2H){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CHH){1|C<4>,1|U<8>}	124.7560	0.000	1	124.7560	0.000	1	124.7560	0.000	1	124.7560	0.000	1	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:3:4:	3:3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:B-4:	N[5a]-3:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]W)(BN[5]2H)	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]W)(BN[5]2H){1|C<3>,1|H<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<3>,1|W<8>}	128.6080	0.000	1	128.6080	0.000	1	128.6080	0.000	1	128.6080	0.000	1	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:3:4:	3:3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H)	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HIr)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H){1|Ir<7>,1|H<1>,2|C<3>}	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HIr)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	128.6320	0.723	2	128.6320	0.522	2	128.5607	0.501	4	125.9700	16.487	6	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:3:4:	3:3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H)	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HRh)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H){1|Rh<7>,1|H<1>,2|C<3>}	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HRh)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	128.4895	0.979	2	128.4895	0.959	2	128.5607	0.501	4	125.9700	16.487	6	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:3:4:	3:3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H)	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HIr)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H){1|H<1>,2|C<3>}	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HIr)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){1|C<3>,1|N<2>}	121.2290	0.000	1	121.2290	0.000	1	120.7885	0.388	2	125.9700	16.487	6	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:3:4:	3:3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:H-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H)	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HRh)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H){1|H<1>,2|C<3>}	B(N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6]C[5a])2(HRh)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){1|C<3>,1|N<2>}	120.3480	0.000	1	120.3480	0.000	1	120.7885	0.388	2	125.9700	16.487	6	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:3:4:	3:3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(BN[5a]3)	B(N[5a]C[5a]2)4	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(BN[5a]3){1|C<4>}	B(N[5a]C[5a]2)4	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	127.8874	1.244	8	127.8874	1.548	8	127.8874	1.548	8	127.8874	1.548	8	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:3:4:	3:3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(BN[5a]3)	B(N[5a]C[5a]2)4	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(BN[5a]3){1|H<1>}	B(N[5a]C[5a]2)4	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(CH3){2|H<1>}	128.3375	0.449	2	128.3375	0.202	2	128.3375	0.202	2	128.3375	0.202	2	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:3:4:	3:3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:B-4:	N[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]3)	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]3){2|C<3>,2|H<1>}	B(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){2|C<3>}	128.0130	0.000	1	128.0130	0.000	1	128.0130	0.000	1	126.7793	0.860	11	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:3:4:	3:3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(BN[5a]3)	B(N[5a]C[5a]2)4	C[5a](C[5a]N[5a]H)(N[5a]C[5a]B)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(BN[5a]3){1|H<1>}	B(N[5a]C[5a]2)4	C[5a](C[5a]N[5a]H)(N[5a]C[5a]B)(H){1|C<4>}	125.8855	0.028	2	125.8855	0.001	2	126.6559	0.770	10	126.7793	0.860	11	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:3:4:	3:3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:B-4:	N[5a]-3:N[5a]-3:N[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(BN[5a]3)	B(N[5a]C[5a]2)4	C[5a](C[5a]N[5a]C)(N[5a]C[5a]B)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(BN[5a]3){1|C<4>}	B(N[5a]C[5a]2)4	C[5a](C[5a]N[5a]C)(N[5a]C[5a]B)(H){1|H<1>}	126.8485	0.882	8	126.8485	0.777	8	126.6559	0.770	10	126.7793	0.860	11	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:3:4:	3:3:4:1:	3:3:1:	C[5a,6]-3:C[5a]-3:B-4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH)	B(N[5a]C[5a,6]C[5a])2(CH3)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH){1|Li<4>,1|H<1>,2|C<3>}	B(N[5a]C[5a,6]C[5a])2(CH3)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	126.1905	1.299	2	126.1905	1.687	2	126.1905	1.687	2	126.1905	1.687	2	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:3:4:	3:3:4:2:	3:3:1:	C[5a,6]-3:C[5a]-3:B-4:	N[5a]-3:N[5a]-3:C-4:H-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH)	B(N[5a]C[5a,6]C[5a])2(CH3)(HRh)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH){1|Rh<7>,1|H<1>,2|C<3>}	B(N[5a]C[5a,6]C[5a])2(CH3)(HRh)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	125.7923	0.395	6	125.7923	0.156	6	125.7923	0.156	6	125.7923	0.156	6	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:4:2:	3:3:4:1:	3:3:1:	C[5a]-3:B-4:N[5a]-2:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(BC[5]N[5]H)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)	C[5a](C[5a]C[5a]I)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(BC[5]N[5]H)(N[5a]C[5a]){1|H<1>,1|I<1>}	B(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(C[5]C[5]2Fe)(H)	C[5a](C[5a]C[5a]I)(N[5a]N[5a]B)(H){1|H<1>}	128.8730	0.000	1	128.8730	0.000	1	128.8730	0.000	1	128.8730	0.000	1	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:4:3:	3:3:3:1:	3:3:1:	C[5a,6]-3:B-4:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	B(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6]C[5a])2(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Li<4>,1|H<1>,2|C<3>}	B(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6]C[5a])2(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	127.1785	0.711	2	127.1785	0.505	2	127.1785	0.505	2	126.6017	0.615	4	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:4:3:	3:3:3:1:	3:3:1:	C[5a,6]-3:B-4:C[5a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Li<4>,1|H<1>,2|C<3>}	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	126.0250	0.098	2	126.0250	0.010	2	126.0250	0.010	2	126.6017	0.615	4	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:4:3:	3:3:3:2:	3:3:1:	C[5a,6]-3:B-4:C[5a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:H-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(HRh)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Rh<7>,1|H<1>,2|C<3>}	B(N[5a]C[5a,6]C[5a])2(C[6a]C[6a]2)(HRh)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	127.0995	0.722	2	127.0995	0.521	2	127.0995	0.521	2	127.0995	0.521	2	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:B[5a]-4:B-4:	N[5a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]FF)(BF3)	B(N[5a]B[5a]C[5a])(F)3	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]B)	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]FF)(BF3){4|C<3>}	B(N[5a]B[5a]C[5a])(F)3	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]B){2|F<1>,3|H<1>,4|C<3>}	127.5040	0.000	1	127.5040	0.000	1	127.5040	0.000	1	127.5040	0.000	1	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	4:3:2:	3:3:3:1:	3:3:1:	B-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	131.1030	0.000	1	131.1030	0.000	1	131.1030	0.000	1	131.1030	0.000	1	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	4:3:2:	3:3:3:3:	3:3:1:	B-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	129.2010	0.105	2	129.2010	0.011	2	129.2010	0.011	2	128.9575	2.232	26	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	4:3:2:	3:3:3:3:	3:3:1:	B-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5]-3:N[5]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](BN[5a]N[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](BN[5a]N[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	B(N[5a]C[5a]N[5a])2(N[5]C[5]N[5])2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	128.7861	1.503	18	128.7861	2.259	18	128.7861	2.259	18	128.9575	2.232	26	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	4:3:2:	3:3:3:3:	3:3:1:	B-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])3(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	129.3907	1.766	6	129.3907	3.120	6	129.3907	3.120	6	128.9575	2.232	26	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	4:3:2:	3:3:3:4:	3:3:1:	B-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5a]-3:C[5]-4:	C[5a]-3:N[5a]-3:H-1:	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a])	B(N[5a]C[5a]N[5a])3(C[5]C[5]2Fe)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	B(N[5a]C[5a]N[5a])3(C[5]C[5]2Fe)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	128.9943	1.118	6	128.9943	1.250	6	128.9943	1.250	6	128.9943	1.250	6	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	4:3:3:	3:3:3:3:	3:2:1:	B-4:C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:N[5]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H)	B(N[5a]C[5a]2)3(N[5]C[5]2)	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>}	B(N[5a]C[5a]2)3(N[5]C[5]2)	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	128.0657	3.235	3	128.1475	4.222	12	128.1475	4.222	12	128.1475	4.222	12	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	4:3:3:	3:3:3:3:	3:2:1:	B-4:C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:N[5]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H)	B(N[5a]C[5a]2)3(N[5]C[5]2)	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	B(N[5a]C[5a]2)3(N[5]C[5]2)	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H){2|H<1>}	128.1748	1.785	9	128.1475	4.222	12	128.1475	4.222	12	128.1475	4.222	12	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:N[5]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H)	B(N[5a]C[5a]2)3(N[5]C[5]2)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]B)(H)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>}	B(N[5a]C[5a]2)3(N[5]C[5]2)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]B)(H){1|H<1>}	127.2667	2.851	3	127.2667	8.128	3	126.9876	3.555	12	126.9876	3.555	12	128.4060	6.018	286	128.3130	5.968	326
813	610	727	0:SP2_SP2_SP3	N[5a]	B	C[5a]	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-3:N[5]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H)	B(N[5a]C[5a]2)3(N[5]C[5]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]B)(H)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	B(N[5a]C[5a]2)3(N[5]C[5]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]B)(H){1|H<1>}	126.8946	1.679	9	126.8946	2.818	9	126.9876	3.555	12	126.9876	3.555	12	128.4060	6.018	286	128.3130	5.968	326
813	613	643	0:SP2_SP2_SP2	N[5a,6a]	Ge[5a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a,6a]-3:Br-1:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Br)(C[6a]C[6a]H)	Ge[5a](N[5a,6a]C[5a,6a]C[6a])2(Br)	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Ge[5a](N[5a,6a]C[5a,6a]C[6a])2(Br){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	123.1945	0.108	2	123.1945	0.012	2	123.1945	0.012	2	123.4338	1.335	6	123.3636	1.147	7	122.9780	2.173	8
813	613	643	0:SP2_SP2_SP2	N[5a,6a]	Ge[5a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a,6a]-3:Cl-1:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Cl)(C[6a]C[6a]H)	Ge[5a](N[5a,6a]C[5a,6a]C[6a])2(Cl)	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Ge[5a](N[5a,6a]C[5a,6a]C[6a])2(Cl){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	122.5765	1.371	2	122.5765	1.880	2	122.5765	1.880	2	123.4338	1.335	6	123.3636	1.147	7	122.9780	2.173	8
813	613	643	0:SP2_SP2_SP2	N[5a,6a]	Ge[5a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-3:Cl-1:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]H)	Ge[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(Cl)	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	Ge[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	124.5305	0.892	2	124.5305	0.795	2	124.5305	0.795	2	123.4338	1.335	6	123.3636	1.147	7	122.9780	2.173	8
813	613	643	0:SP2_SP2_SP2	N[5a,6a]	Ge[5a]	C[6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-3:Cl-1:	N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]O)	Ge[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(Cl)	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(OC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	Ge[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(Cl){1|C<4>,1|O<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(OC){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	122.9420	0.000	1	122.9420	0.000	1	122.9420	0.000	1	122.9420	0.000	1	123.3636	1.147	7	122.9780	2.173	8
813	613	643	0:SP2_SP2_SP2	N[5a]	Ge[5a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	Ge[5a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-3:Cl-1:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	Ge[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(Cl)	C[6a](N[5a]Ge[5a]C[5a])(C[6a]C[6a]C)2	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	Ge[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(Cl){1|C<4>,1|O<2>,4|C<3>}	C[6a](N[5a]Ge[5a]C[5a])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	122.9780	2.173	8
813	613	727	5:SP2_SP2_SP2	N[5a,6a]	Ge[5a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a,6a]-3:Br-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Br)(C[6a]C[6a]H)	Ge[5a](N[5a,6a]C[5a,6a]C[6a])2(Br)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Ge[5a](N[5a,6a]C[5a,6a]C[6a])2(Br){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	117.0095	0.183	2	117.0095	0.034	2	117.0095	0.034	2	116.4320	0.849	7	116.4320	0.849	7	116.3656	2.205	34
813	613	727	5:SP2_SP2_SP2	N[5a,6a]	Ge[5a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a,6a]-3:Cl-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Cl)(C[6a]C[6a]H)	Ge[5a](N[5a,6a]C[5a,6a]C[6a])2(Cl)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Ge[5a](N[5a,6a]C[5a,6a]C[6a])2(Cl){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	117.1495	0.968	2	117.1495	0.937	2	117.1495	0.937	2	116.4320	0.849	7	116.4320	0.849	7	116.3656	2.205	34
813	613	727	5:SP2_SP2_SP2	N[5a,6a]	Ge[5a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-3:Cl-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]H)	Ge[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(Cl)	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	Ge[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	115.4275	0.269	2	115.4275	0.073	2	115.5687	0.096	3	116.4320	0.849	7	116.4320	0.849	7	116.3656	2.205	34
813	613	727	5:SP2_SP2_SP2	N[5a,6a]	Ge[5a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-3:Cl-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]O)	Ge[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(Cl)	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	Ge[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(Cl){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	115.8510	0.000	1	115.8510	0.000	1	115.5687	0.096	3	116.4320	0.849	7	116.4320	0.849	7	116.3656	2.205	34
813	613	727	5:SP2_SP2_SP2	N[5a]	Ge[5a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	Ge[5a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-3:Cl-1:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	Ge[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(Cl)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C[6a])(CH3)	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	Ge[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(Cl){1|C<4>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C[6a])(CH3){1|Cl<1>,1|H<1>,4|C<3>}	117.4340	0.000	1	117.4340	0.000	1	117.4340	0.000	1	117.4340	0.000	1	116.3484	2.601	27	116.3656	2.205	34
813	613	727	5:SP2_SP2_SP2	N[5a]	Ge[5a]	C[5a]	3:3:4:	3:3:1:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:Br-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]Br)(C[5a]C[5a]C)(CCHH)	Ge[5a](N[5a]C[5a]C)2(Br)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]Br)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	Ge[5a](N[5a]C[5a]C)2(Br){2|C<3>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|Br<1>,1|C<4>}	117.5840	0.038	2	117.5840	0.001	2	117.5840	0.001	2	115.8370	4.368	4	116.3484	2.601	27	116.3656	2.205	34
813	613	727	5:SP2_SP2_SP2	N[5a]	Ge[5a]	C[5a]	3:3:4:	3:3:1:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:Cl-1:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]Cl)(C[5a]C[5a]C)(CC3)	Ge[5a](N[5a]C[5a]C)2(Cl)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]Cl)(C[5a]C[5a]C)(CC3){1|C<3>,1|C<4>}	Ge[5a](N[5a]C[5a]C)2(Cl){2|C<3>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|Cl<1>,1|C<4>}	114.0900	0.946	2	114.0900	0.895	2	114.0900	0.895	2	115.8370	4.368	4	116.3484	2.601	27	116.3656	2.205	34
813	613	727	5:SP2_SP2_SP2	N[5a]	Ge[5a]	C[5a]	3:3:4:	3:3:1:	3:3:4:	Ge[5a]-3:C[5a]-3:C-4:	N[5a,6a]-3:N[5a]-3:Cl-1:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(CCHH)	Ge[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(Cl)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C)(CH3)	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(CCHH){2|C<3>}	Ge[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C)(CH3){1|Cl<1>,1|H<1>,2|C<3>}	117.5110	0.253	2	117.5110	0.064	2	117.5110	0.064	2	117.5110	0.064	2	116.3484	2.601	27	116.3656	2.205	34
813	613	727	5:SP2_SP2_SP2	N[5a]	Ge[5a]	C[5a]	3:3:4:	3:3:2:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:C-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CC3)	Ge[5a](N[5a]C[5a]C)2(CC)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CC3){1|C<3>,1|C<4>}	Ge[5a](N[5a]C[5a]C)2(CC){2|C<3>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<2>,1|C<4>}	115.6128	0.531	4	115.6128	0.282	4	115.8577	0.379	6	116.6144	1.505	16	116.3484	2.601	27	116.3656	2.205	34
813	613	727	5:SP2_SP2_SP2	N[5a]	Ge[5a]	C[5a]	3:3:4:	3:3:2:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:C-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CCHH)	Ge[5a](N[5a]C[5a]C)2(CN)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	Ge[5a](N[5a]C[5a]C)2(CN){2|C<3>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<2>,1|C<4>}	116.3475	0.573	2	116.3475	0.329	2	115.8577	0.379	6	116.6144	1.505	16	116.3484	2.601	27	116.3656	2.205	34
813	613	727	5:SP2_SP2_SP2	N[5a]	Ge[5a]	C[5a]	3:3:4:	3:3:2:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:O-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CC3)	Ge[5a](N[5a]C[5a]C)2(OGe[5a])	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CC3){1|C<3>,1|C<4>}	Ge[5a](N[5a]C[5a]C)2(OGe[5a]){2|C<3>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<4>,1|O<2>}	115.6172	0.386	4	115.6172	0.149	4	116.6507	1.780	7	116.6144	1.505	16	116.3484	2.601	27	116.3656	2.205	34
813	613	727	5:SP2_SP2_SP2	N[5a]	Ge[5a]	C[5a]	3:3:4:	3:3:2:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:O-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CCHH)	Ge[5a](N[5a]C[5a]C)2(OGe[5a])	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	Ge[5a](N[5a]C[5a]C)2(OGe[5a]){2|C<3>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<4>,1|O<2>}	118.0287	0.362	3	118.0287	0.131	3	116.6507	1.780	7	116.6144	1.505	16	116.3484	2.601	27	116.3656	2.205	34
813	613	727	5:SP2_SP2_SP2	N[5a]	Ge[5a]	C[5a]	3:3:4:	3:3:2:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:S-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]S)(C[5a]C[5a]C)(CCHH)	Ge[5a](N[5a]C[5a]C)2(SC[6a])	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]S)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	Ge[5a](N[5a]C[5a]C)2(SC[6a]){2|C<3>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<4>,1|S<2>}	118.3010	0.202	2	118.3010	0.041	2	118.3010	0.041	2	116.6144	1.505	16	116.3484	2.601	27	116.3656	2.205	34
813	613	727	5:SP2_SP2_SP2	N[5a]	Ge[5a]	C[5a]	3:3:4:	3:3:2:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:Se-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]Se)(C[5a]C[5a]C)(CCHH)	Ge[5a](N[5a]C[5a]C)2(SeC[6a])	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]Se)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	Ge[5a](N[5a]C[5a]C)2(SeC[6a]){2|C<3>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|Se<2>,1|C<4>}	117.5270	0.000	1	117.5270	0.000	1	117.5270	0.000	1	116.6144	1.505	16	116.3484	2.601	27	116.3656	2.205	34
813	613	727	5:SP2_SP2_SP2	N[5a]	Ge[5a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]N)(C[5a]C[5a]C)(CCCH)	Ge[5a](N[5a]C[5a]C)2(NC[6a]2)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]N)(C[5a]C[5a]C)(CCCH){1|C<3>,1|C<4>}	Ge[5a](N[5a]C[5a]C)2(NC[6a]2){2|C<3>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<4>,1|N<3>}	117.0515	0.039	2	117.0515	0.002	2	117.0515	0.002	2	117.0515	0.002	2	116.3484	2.601	27	116.3656	2.205	34
813	613	727	5:SP2_SP2_SP2	N[5a]	Ge[5a]	C[5a]	3:3:4:	3:3:4:	3:3:3:	Ge[5a]-3:C[5a]-3:C-4:	N[5a]-3:N[5a]-3:B-4:	N[5a]-3:C[5a]-3:C-3:	N[5a](Ge[5a]N[5a]B)(C[5a]C[5a]C)(CC3)	Ge[5a](N[5a]C[5a]C)2(BH3)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]B)(C[5a]C[5a]C)(CC3){1|C<3>,1|C<4>}	Ge[5a](N[5a]C[5a]C)2(BH3){2|C<3>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|B<4>,1|C<4>}	112.8345	0.381	2	112.8345	0.145	2	112.8345	0.145	2	112.8345	0.145	2	116.3484	2.601	27	116.3656	2.205	34
813	618	727	0:SP2_SP2_SP2	N[5a,6,6]	B[3x6]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6,6]-3:B[3x6]-3:C[5a]-3:	N[5a,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:	N[5a,6,6]-3:C[5a]-3:C-4:	N[5a,6,6](N[5a,6,6]B[3x6]C[5a])(B[3x6]N[5,6,6]2)(C[5a]C[5a]C)	B[3x6](N[5a,6,6]N[5a,6,6]C[5a])(N[5,6,6]N[5,6,6]C[5])2	C[5a](N[5a,6,6]N[5a,6,6]B[3x6])(C[5a]C[5a]H)(CH3)	N[5a,6,6](N[5a,6,6]B[3x6]C[5a])(B[3x6]N[5,6,6]2)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	B[3x6](N[5a,6,6]N[5a,6,6]C[5a])(N[5,6,6]N[5,6,6]C[5])2{1|B<3>,3|C<4>,6|C<3>}	C[5a](N[5a,6,6]N[5a,6,6]B[3x6])(C[5a]C[5a]H)(CH3){1|B<3>,1|C<4>,2|N<3>}	135.6225	0.579	2	135.6225	0.335	2	135.6225	0.335	2	135.6225	0.335	2	135.6225	0.335	2	128.3266	32.000	8
813	618	727	0:SP2_SP2_SP2	N[5a,6]	B[6]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:B[6]-3:	N[5a,6]-3:N[5a,6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]H){1|C<4>,2|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(H){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	128.5018	0.229	4	128.5018	0.052	4	128.5018	0.052	4	128.5018	0.052	4	125.8947	16.344	6	128.3266	32.000	8
813	618	727	0:SP2_SP2_SP2	N[5a,6]	B[6]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:B[6]-3:	N[5a,6]-3:N[5,6]-3:N[5]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(B[6]N[5,6]N[5])	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(B[6]N[5,6]N[5]){1|H<1>,6|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C[5]){1|S<1>,4|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	120.6805	0.008	2	120.6805	0.000	2	120.6805	0.000	2	120.6805	0.000	2	125.8947	16.344	6	128.3266	32.000	8
813	618	727	6:SP2_SP2_SP2	N[5a,6]	B[6]	C[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:B[6]-3:	N[5a,6]-3:N[5a,6]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])2(H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]H){1|C<4>,2|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])2(H){1|C<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C){1|H<1>,1|N<3>,5|C<3>}	124.3483	0.093	4	124.3483	0.009	4	124.3483	0.009	4	124.3483	0.009	4	125.6402	4.049	6	125.6402	4.049	6
813	618	727	6:SP2_SP2_SP2	N[5a,6]	B[6]	C[5a,6]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a,6]-3:B[6]-3:	N[5a,6]-3:N[5,6]-3:N[5]-3:	N[5a,6]-3:S[5a]-2:S[6]-2:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(B[6]N[5,6]N[5])	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C[5])	C[5a,6](N[5a,6]C[5a,6a]B[6])(S[5a]C[5a,6a])(S[6]C[5,6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(B[6]N[5,6]N[5]){1|H<1>,6|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C[5]){1|S<1>,4|S<2>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(S[5a]C[5a,6a])(S[6]C[5,6]){1|S<2>,2|C<3>,2|N<3>}	128.2240	0.434	2	128.2240	0.188	2	128.2240	0.188	2	128.2240	0.188	2	125.6402	4.049	6	125.6402	4.049	6
813	618	813	6:SP2_SP2_SP2	N[5a,6,6]	B[3x6]	N[5a,6,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6]-3:B[3x6]-3:C[5a]-3:	N[5a,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:	N[5a,6,6]-3:B[3x6]-3:C[5a]-3:	N[5a,6,6](N[5a,6,6]B[3x6]C[5a])(B[3x6]N[5,6,6]2)(C[5a]C[5a]C)	B[3x6](N[5a,6,6]N[5a,6,6]C[5a])(N[5,6,6]N[5,6,6]C[5])2	N[5a,6,6](N[5a,6,6]B[3x6]C[5a])(B[3x6]N[5,6,6]2)(C[5a]C[5a]C)	N[5a,6,6](N[5a,6,6]B[3x6]C[5a])(B[3x6]N[5,6,6]2)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	B[3x6](N[5a,6,6]N[5a,6,6]C[5a])(N[5,6,6]N[5,6,6]C[5])2{1|B<3>,3|C<4>,6|C<3>}	N[5a,6,6](N[5a,6,6]B[3x6]C[5a])(B[3x6]N[5,6,6]2)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	115.0885	0.784	2	115.0885	0.615	2	115.0885	0.615	2	115.0885	0.615	2	115.0885	0.615	2	115.0885	0.615	2
813	622	727	6:SP2_SP2_SP3	N[5a,6]	O[6]	C[5a,6]	3:2:2:	3:4:	3:4:2:	C[5a,6]-3:N[5a]-2:O[6]-2:	N[5a,6]-3:C[6]-4:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(O[6]C[6])	O[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)	C[5a,6](N[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(O[6]C[6]){1|C<3>,1|H<1>,3|C<4>}	O[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC){1|C<4>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	128.7790	0.000	1	128.7790	0.000	1	128.7790	0.000	1	128.7790	0.000	1	128.7790	0.000	1	128.7790	0.000	1
813	643	651	0:SP2_SP2_SP2	N[5a]	C[6a]	Si[5a]	3:3:3:	3:3:3:	3:3:2:	Si[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:As-2:	N[5a](Si[5a]N[5a]As)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]Si[5a]C[5a])(C[6a]C[6a]C)2	Si[5a](N[5a]C[5a]C[6a])2(AsZn)	N[5a](Si[5a]N[5a]As)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]Si[5a]C[5a])(C[6a]C[6a]C)2{1|As<2>,1|N<3>,2|C<3>,3|H<1>}	Si[5a](N[5a]C[5a]C[6a])2(AsZn){2|H<1>,4|C<3>}	128.3170	2.135	2	128.3170	4.560	2	128.3170	4.560	2	130.0178	5.927	4	130.0178	5.927	4	130.0178	5.927	4
813	643	651	0:SP2_SP2_SP2	N[5a]	C[6a]	Si[5a]	3:3:3:	3:3:3:	3:3:2:	Si[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-2:	N[5a](Si[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]Si[5a]C[5a])(C[6a]C[6a]C)2	Si[5a](N[5a]C[5a]C[6a])2(NC[6a])	N[5a](Si[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]Si[5a]C[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	Si[5a](N[5a]C[5a]C[6a])2(NC[6a]){2|H<1>,4|C<3>}	131.7185	1.285	2	131.7185	1.651	2	131.7185	1.651	2	130.0178	5.927	4	130.0178	5.927	4	130.0178	5.927	4
813	643	679	0:SP2_SP2_SP3	N[5a,6]	C[6,6a]	B[5a]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[6,6a]-3:B[5a]-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,5a]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF)	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6,6a])(F)2	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]C[5a,6]C[6,6a])(F)2{1|N<2>,5|C<3>}	127.1230	0.000	1	127.1230	0.000	1	127.4195	0.176	2	127.4195	0.176	2	127.4195	0.176	2	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6]	C[6,6a]	B[5a]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[6,6a]-3:B[5a]-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,5a]-3:N[5a,6]-3:F-1:F-1:	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF)	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6,6a])(F)2	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,6]C[5a,6]C[6,6a])(F)2{1|C<4>,5|C<3>}	127.7160	0.000	1	127.7160	0.000	1	127.4195	0.176	2	127.4195	0.176	2	127.4195	0.176	2	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a,6a]	B[5a]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-3:F-1:F-1:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a]FF)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)(F)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a]FF){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)(F)2{1|C<2>,3|C<3>}	124.5430	0.000	1	124.5430	0.000	1	124.5430	0.000	1	127.2186	2.445	7	127.2186	2.445	7	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a,6a]	B[5a]	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a,6a]-3:Cl-1:Cl-1:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2)	C[6a,6a](N[5a,6a]C[5a,6a]B[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])2(Cl)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2){2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]B[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])2(Cl)2{6|C<3>}	128.2083	0.883	4	128.2083	0.779	4	128.2083	0.779	4	127.2186	2.445	7	127.2186	2.445	7	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a,6a]	B[5a]	3:3:4:	3:3:3:	3:3:1:1:	C[6a,6a]-3:C[5a,6a]-3:B[5a]-4:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-3:F-1:F-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)	C[6a,6a](N[5a,6a]C[5a,6a]B[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)(F)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]B[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)(F)2{1|C<2>,3|C<3>}	126.5770	0.656	2	126.5770	0.431	2	126.5770	0.431	2	127.2186	2.445	7	127.2186	2.445	7	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5,5a]	3:4:3:	3:2:1:	3:4:2:2:	C[5a,6a]-3:B[5,5a]-4:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:N[5a]-4:O[5]-2:O[5]-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(N[6a]C[6a])(H)	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]H)(O[5]C[5])2	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]N[6a]H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(N[6a]C[6a])(H){1|H<1>,1|N<4>,2|C<3>,2|O<2>}	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]H)(O[5]C[5])2{1|B<3>,1|H<1>,1|N<2>,3|C<3>,4|C<4>}	125.5520	0.000	1	125.5520	0.000	1	125.5520	0.000	1	125.5520	0.000	1	126.1740	0.774	2	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5,5a]	3:4:3:	3:3:1:	3:3:2:2:	C[5a,6a]-3:B[5,5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-3:O[5]-2:O[5]-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(C[6a]C[6a]H)(H)	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O[5]C[5])2	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O[5]C[5])2{1|H<1>,4|C<4>,5|C<3>}	126.7960	0.000	1	126.7960	0.000	1	126.7960	0.000	1	126.7960	0.000	1	126.1740	0.774	2	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5a,6,6]	4:3:3:	3:3:1:	3:3:4:4:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[6,6]-4:C[6,6]-4:	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(H)	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>,4|C<4>}	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2{10|H<1>,2|C<4>,4|C<3>}	128.5415	0.387	2	128.5415	0.150	2	129.2739	0.350	14	129.2739	0.350	14	129.2739	0.350	14	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5a,6,6]	4:3:3:	3:3:1:	3:3:4:4:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[6,6]-4:C[6,6]-4:	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]C)(H)	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>,4|C<4>}	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2{10|H<1>,2|C<4>,4|C<3>}	128.8175	0.514	2	128.8175	0.264	2	129.2739	0.350	14	129.2739	0.350	14	129.2739	0.350	14	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5a,6,6]	4:3:3:	3:3:1:	3:3:4:4:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[6,6]-4:C[6,6]-4:	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H)	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2{10|H<1>,2|C<4>,4|C<3>}	129.0295	0.374	2	129.5116	0.232	10	129.2739	0.350	14	129.2739	0.350	14	129.2739	0.350	14	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5a,6,6]	4:3:3:	3:3:1:	3:3:4:4:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[6,6]-4:C[6,6]-4:	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H)	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<4>,3|C<3>}	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2{10|H<1>,2|C<4>,4|C<3>}	129.6321	0.441	8	129.5116	0.232	10	129.2739	0.350	14	129.2739	0.350	14	129.2739	0.350	14	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:Cl-1:Cl-1:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(Cl)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])2(Cl)2{2|H<1>,4|C<3>}	127.2870	0.841	4	127.2870	0.707	4	127.2870	0.707	4	127.5466	0.867	5	126.5005	0.672	30	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:1:	3:3:1:1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-3:F-1:F-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)(F)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)(F)2{1|H<1>,3|C<3>}	128.5850	0.000	1	128.5850	0.000	1	128.5850	0.000	1	127.5466	0.867	5	126.5005	0.672	30	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:1:	3:3:3:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[6a]2N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(N[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[6a]2N[5a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(N[5a]C[5a]H){5|H<1>,7|C<3>}	127.1393	0.219	3	127.1393	0.048	3	127.1393	0.048	3	127.1393	0.048	3	126.5005	0.672	30	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:1:	3:3:4:2:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:O-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(OB[5a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(OB[5a]){2|C<4>,4|C<3>,4|H<1>}	126.4868	0.279	4	126.4868	0.078	4	126.4868	0.078	4	126.4868	0.078	4	126.5005	0.672	30	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:1:	3:3:4:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6]-3:C[5]-4:N-3:	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[5]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(NC[6a]H)	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(NC[6a]H){2|C<4>,4|C<3>,4|H<1>}	125.8860	0.000	1	125.8860	0.000	1	125.8860	0.000	1	125.9345	0.135	12	126.5005	0.672	30	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:1:	3:3:4:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:C-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCH){2|C<4>,4|C<3>,4|H<1>}	126.4165	0.261	2	126.4165	0.068	2	126.4165	0.068	2	125.9345	0.135	12	126.5005	0.672	30	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:1:	3:3:4:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:N-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NB[5a]Si)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NB[5a]Si){2|C<4>,4|C<3>,4|H<1>}	125.6787	0.489	3	125.6787	0.239	3	125.8328	0.108	9	125.9345	0.135	12	126.5005	0.672	30	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:1:	3:3:4:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:N-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NCH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NCH){2|C<4>,4|C<3>,4|H<1>}	125.8930	0.427	2	125.8930	0.182	2	125.8328	0.108	9	125.9345	0.135	12	126.5005	0.672	30	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:1:	3:3:4:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:N-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NC[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NC[6a]H){2|C<4>,4|C<3>,4|H<1>}	125.9183	0.174	4	125.9183	0.030	4	125.8328	0.108	9	125.9345	0.135	12	126.5005	0.672	30	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:1:	3:3:4:4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:C-4:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCHH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(CCHH){2|C<4>,4|C<3>,4|H<1>}	126.9105	0.186	2	126.9105	0.035	2	126.9105	0.035	2	126.4507	0.731	6	126.5005	0.672	30	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:1:	3:3:4:4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-3:C-4:C-4:	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]CC)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCHH)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCHH)2{1|H<1>,3|C<3>}	126.9950	0.714	2	126.9950	0.510	2	126.9950	0.510	2	126.4507	0.731	6	126.5005	0.672	30	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a,6a]	C[6a]	B[5a]	3:4:3:	3:3:1:	3:3:4:4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5,5a]-3:C-4:C-4:	N[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]C[5,5a]CC)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]B[5a])(N[6a]C[6a]H)(O)	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CCHH)2	N[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]C[5,5a]CC)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|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>}	B[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CCHH)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	125.4465	0.284	2	125.4465	0.080	2	125.4465	0.080	2	126.4507	0.731	6	126.5005	0.672	30	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a]	C[6a]	B[5,5a]	4:3:3:	3:3:3:	3:3:2:2:	B[5,5a]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-3:O[5]-2:O[5]-2:	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](N[5a]B[5,5a]C[5a])(C[6a]C[6a]C)2	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O[5]C[5])2	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]C)(C[6a]C[6a]2){4|C<3>,4|C<4>}	C[6a](N[5a]B[5,5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	B[5,5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O[5]C[5])2{1|H<1>,4|C<4>,5|C<3>}	122.8640	0.000	1	122.8640	0.000	1	122.8640	0.000	1	122.8640	0.000	1	122.8640	0.000	1	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a]	C[6a]	B[5a,6,6]	4:3:3:	3:3:3:	3:4:4:3:	B[5a,6,6]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[5a]-3:	N[5a](B[5a,6,6]C[6,6]2C[5a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]B[5a,6,6]C[5a])(C[6a]C[6a]H)2	B[5a,6,6](N[5a]C[5a]C[6a])(C[6,6]C[6]2H)2(C[5a]N[5a]N)	N[5a](B[5a,6,6]C[6,6]2C[5a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	C[6a](N[5a]B[5a,6,6]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	B[5a,6,6](N[5a]C[5a]C[6a])(C[6,6]C[6]2H)2(C[5a]N[5a]N){1|N<3>,2|C<3>,3|C<4>,8|H<1>}	127.3840	0.000	1	127.3840	0.000	1	127.3840	0.000	1	127.3840	0.000	1	127.3840	0.000	1	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a]	C[6a]	B[5a]	3:4:3:	3:3:3:	3:2:1:1:	C[6a]-3:B[5a]-4:C[5a]-3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:O[5a]-2:F-1:F-1:	N[5a](C[6a]C[6a,6a]C[6a])(B[5a]O[5a]FF)(C[5a]C[5a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]B[5a]C[5a])(C[6a]C[6a]H)	B[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(F)2	N[5a](C[6a]C[6a,6a]C[6a])(B[5a]O[5a]FF)(C[5a]C[5a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]B[5a]C[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	B[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(F)2{4|C<3>}	125.1070	0.000	1	125.1070	0.000	1	125.1070	0.000	1	125.1070	0.000	1	127.0371	7.499	24	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a]	C[6a]	B[5a]	3:4:3:	3:3:3:	3:2:3:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:O[5a]-2:C[6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2){2|C<4>,9|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,5|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{4|F<1>,8|C<3>}	126.5710	0.000	1	126.5710	0.000	1	126.5710	0.000	1	126.5710	0.000	1	127.0371	7.499	24	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a]	C[6a]	B[5a]	3:4:3:	3:3:3:	3:3:1:1:	C[5,5a]-3:B[5a]-4:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Br-1:Br-1:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br2)(C[6a]C[6a]2)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	B[5a](N[5a]C[5,5a]C[6a])2(Br)2	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br2)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{2|Br<1>,1|N<3>,2|H<1>,3|C<3>}	B[5a](N[5a]C[5,5a]C[6a])2(Br)2{6|C<3>}	129.9335	0.306	2	129.9335	0.094	2	129.9335	0.094	2	129.9335	0.094	2	127.0371	7.499	24	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a]	C[6a]	B[5a]	3:4:3:	3:3:3:	3:3:3:1:	C[5a,5a]-3:B[5a]-4:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:Br-1:	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a]Br)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2)(Br)	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a]Br)(C[6a]C[6a]2){1|B<4>,1|N<3>,2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2{1|Br<1>,2|H<1>,2|N<3>,3|C<3>}	B[5a](N[5a]C[5a,5a]C[6a])2(C[6a]C[6a]2)(Br){2|H<1>,2|N<3>,6|C<3>}	130.4985	1.787	2	130.4985	3.193	2	130.4985	3.193	2	130.4985	3.193	2	127.0371	7.499	24	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a]	C[6a]	B[5a]	4:2:3:	3:3:3:	3:3:1:1:	B[5a]-4:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:N[5a]-3:F-1:F-1:	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2{1|C<4>,4|C<3>}	127.3100	0.485	3	127.0643	0.398	4	127.0643	0.398	4	127.0643	0.398	4	127.0371	7.499	24	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a]	C[6a]	B[5a]	4:2:3:	3:3:3:	3:3:1:1:	B[5a]-4:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:N[5a]-3:F-1:F-1:	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2{1|N<2>,4|C<3>}	126.3270	0.000	1	127.0643	0.398	4	127.0643	0.398	4	127.0643	0.398	4	127.0371	7.499	24	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a]	C[6a]	B[5a]	4:3:3:	3:3:3:	3:3:1:1:	B[5a]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:Cl-1:Cl-1:	N[5a](B[5a]N[5a]Cl2)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	B[5a](N[5a]C[5a]C[6a])2(Cl)2	N[5a](B[5a]N[5a]Cl2)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	B[5a](N[5a]C[5a]C[6a])2(Cl)2{2|H<1>,4|C<3>}	125.8040	1.240	2	125.8040	1.538	2	125.8040	1.538	2	125.8040	1.538	2	127.0371	7.499	24	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a]	C[6a]	B[5a]	4:3:3:	3:3:3:	3:3:3:1:	B[5a]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:N[5a]-3:C[6a]-3:F-1:	N[5a](B[5a]C[5,5a]C[6a]F)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	B[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)(F)	N[5a](B[5a]C[5,5a]C[6a]F)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|C<4>,1|F<1>,1|N<3>,2|H<1>,3|C<3>}	B[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)(F){4|C<3>,6|C<4>}	116.4320	0.000	1	116.4320	0.000	1	116.4320	0.000	1	116.4320	0.000	1	127.0371	7.499	24	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a]	C[6a]	B[5a]	4:3:3:	3:3:3:	3:3:3:3:	B[5a]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,8|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	127.2010	0.704	4	127.2010	0.496	4	127.1596	0.456	10	127.1596	0.456	10	127.0371	7.499	24	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a]	C[6a]	B[5a]	4:3:3:	3:3:3:	3:3:3:3:	B[5a]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|H<1>,4|C<3>}	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	125.9900	0.000	1	125.9900	0.000	1	127.1596	0.456	10	127.1596	0.456	10	127.0371	7.499	24	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a]	C[6a]	B[5a]	4:3:3:	3:3:3:	3:3:3:3:	B[5a]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	B[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	127.3650	0.000	1	127.3650	0.000	1	127.1596	0.456	10	127.1596	0.456	10	127.0371	7.499	24	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a]	C[6a]	B[5a]	4:3:3:	3:3:3:	3:3:3:3:	B[5a]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:N[5a]-3:C[6a]-3:C[6a]-3:	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	127.3593	0.589	4	127.3593	0.347	4	127.1596	0.456	10	127.1596	0.456	10	127.0371	7.499	24	127.1816	3.859	81
813	643	679	0:SP2_SP2_SP3	N[5a]	C[6a]	B[5a]	4:3:3:	3:3:3:	3:3:4:4:	B[5a]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2	B[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)2	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(C[6a]C[6a]2){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	B[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)2{1|N<3>,2|C<3>,5|C<4>,8|H<1>}	128.4560	0.000	1	128.4560	0.000	1	128.4560	0.000	1	128.4560	0.000	1	127.0371	7.499	24	127.1816	3.859	81
813	643	681	0:SP2_SP2_SP2	N[5a]	C[6a]	Se[5a,5a]	3:3:3:	3:3:3:	3:3:3:	Se[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a,6]-3:N[5a]-3:N[5a]-3:	N[5a](Se[5a,5a]N[5a,5a,6]N[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](N[5a]Se[5a,5a]C[5a])(C[6a]C[6a]C)2	Se[5a,5a](N[5a,5a,6]C[5a,6]2)(N[5a]C[5a]C[6a])2	N[5a](Se[5a,5a]N[5a,5a,6]N[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](N[5a]Se[5a,5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	Se[5a,5a](N[5a,5a,6]C[5a,6]2)(N[5a]C[5a]C[6a])2{2|H<1>,6|C<3>}	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1
813	643	727	0:SP2_SP2_SP2	N[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])	C[6a,6a](N[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5]){2|H<1>,7|C<3>}	C[6a,6a](N[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	130.5350	0.000	1	130.5350	0.000	1	130.5350	0.000	1	130.5350	0.000	1	130.5350	0.000	1	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,5a]	3:3:3:	3:3:1:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:N[5,6a]-3:N[5a]-2:	N[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]C)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a])	N[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<1>,2|C<4>,3|C<3>}	C[6a](N[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|S<1>,4|C<3>}	127.1090	0.000	1	127.1090	0.000	1	127.1090	0.000	1	127.1090	0.000	1	127.1090	0.000	1	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	127.4710	0.000	1	127.4710	0.000	1	127.4483	0.067	9	128.1164	1.230	13	128.0425	1.762	15	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	127.1480	0.000	1	127.1480	0.000	1	127.4483	0.067	9	128.1164	1.230	13	128.0425	1.762	15	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	127.4530	0.069	3	127.4880	0.072	7	127.4483	0.067	9	128.1164	1.230	13	128.0425	1.762	15	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	127.7340	0.000	1	127.4880	0.072	7	127.4483	0.067	9	128.1164	1.230	13	128.0425	1.762	15	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|N<2>,2|C<3>,2|O<1>}	127.2015	0.091	2	127.4880	0.072	7	127.4483	0.067	9	128.1164	1.230	13	128.0425	1.762	15	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	127.9200	0.000	1	127.4880	0.072	7	127.4483	0.067	9	128.1164	1.230	13	128.0425	1.762	15	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]O)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]H)(O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	128.6850	0.000	1	128.6850	0.000	1	128.6850	0.000	1	128.1164	1.230	13	128.0425	1.762	15	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,6a])(O)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,6a])(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	129.9130	0.018	2	129.9310	0.001	3	129.9310	0.001	3	128.1164	1.230	13	128.0425	1.762	15	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,6a])(O)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,6a])(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	129.9670	0.000	1	129.9310	0.001	3	129.9310	0.001	3	128.1164	1.230	13	128.0425	1.762	15	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:N-2:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(NH)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N){1|C<2>,1|H<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(NH){1|O<2>,1|S<2>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	125.3960	0.000	1	125.3960	0.000	1	127.5625	9.387	2	127.5625	9.387	2	128.0425	1.762	15	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:N-2:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]N)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]C)(NH)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]C)(NH){1|N<2>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	129.7290	0.000	1	129.7290	0.000	1	127.5625	9.387	2	127.5625	9.387	2	128.0425	1.762	15	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[5a,6]-3:N[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6]C[5a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5a,6]C[5a,6]2)(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(N[6]C[6]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6]C[5a]C[6]){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5a,6]C[5a,6]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(N[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	131.5440	0.000	1	131.5440	0.000	1	131.5440	0.000	1	131.5440	0.000	1	131.5440	0.000	1	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	129.4350	0.000	1	129.4350	0.000	1	129.4350	0.000	1	129.4350	0.000	1	130.3954	3.516	14	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a,6a]-3:	N[5a,6](C[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	N[5a,6](C[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	131.8380	0.000	1	131.8380	0.000	1	131.8380	0.000	1	130.4693	3.726	13	130.3954	3.516	14	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|Si<4>,2|H<1>,6|C<3>}	C[6,6a](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5a,6a](N[5a,6]C[5a,6,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	127.9510	0.000	1	127.9510	0.000	1	127.9510	0.000	1	130.4693	3.726	13	130.3954	3.516	14	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[3,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[3,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	130.2510	0.000	1	130.2510	0.000	1	130.2196	2.509	10	130.4693	3.726	13	130.3954	3.516	14	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	129.3900	0.000	1	129.3900	0.000	1	130.2196	2.509	10	130.4693	3.726	13	130.3954	3.516	14	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	130.1120	0.010	2	130.1120	0.000	2	130.2196	2.509	10	130.4693	3.726	13	130.3954	3.516	14	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	131.7510	0.699	2	130.9335	1.066	4	130.2196	2.509	10	130.4693	3.726	13	130.3954	3.516	14	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	130.1160	0.188	2	130.9335	1.066	4	130.2196	2.509	10	130.4693	3.726	13	130.3954	3.516	14	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6]){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	132.0310	0.000	1	132.0310	0.000	1	130.2196	2.509	10	130.4693	3.726	13	130.3954	3.516	14	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]Si[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]Si[6]){2|H<1>,3|C<4>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,4|C<3>,4|H<1>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	126.5660	0.000	1	126.5660	0.000	1	130.2196	2.509	10	130.4693	3.726	13	130.3954	3.516	14	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6a,6a]-3:C[6,6a]-3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6](C[6,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6]){1|N<2>,2|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6]){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	134.1160	0.000	1	134.1160	0.000	1	134.1160	0.000	1	130.4693	3.726	13	130.3954	3.516	14	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,2|C<3>}	128.3120	0.000	1	128.3120	0.000	1	128.3120	0.000	1	129.0525	1.097	2	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	N[5a,6]-3:C[5a]-3:I-1:	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]I)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(I)	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]I){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|I<1>,1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(I){1|C<4>,1|N<2>,2|C<3>}	129.7930	0.000	1	129.7930	0.000	1	129.7930	0.000	1	129.0525	1.097	2	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	128.9770	0.000	1	128.9770	0.000	1	129.0645	0.279	4	129.0645	0.279	4	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]S[6])(C[5a]N[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]S[6])(C[5a]N[5a]H){1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|S<2>,3|C<3>}	128.3520	0.000	1	128.3520	0.000	1	129.0645	0.279	4	129.0645	0.279	4	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-2:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5,6]C[5a])(C[5a]N[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	129.4645	0.040	2	129.4645	0.002	2	129.0645	0.279	4	129.0645	0.279	4	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-2:N-2:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]N)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(NC[6a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,3|N<2>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(NC[6a]){1|C<4>,1|N<2>,2|C<3>}	133.2020	0.000	1	133.2020	0.000	1	133.2020	0.000	1	133.2020	0.000	1	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-2:C[6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a])	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	134.3790	0.000	1	134.3790	0.000	1	134.3790	0.000	1	134.3790	0.000	1	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-2:C-4:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]C)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CH3)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CH3){3|C<3>}	133.9760	0.000	1	133.9760	0.000	1	133.9760	0.000	1	133.9760	0.000	1	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:B[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(B[5a,6]N[5a]Si[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]B[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[5a](N[5a,6]B[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(B[5a,6]N[5a]Si[6])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6]B[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|Si<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a](N[5a,6]B[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|Si<4>,3|C<3>}	124.3850	0.000	1	124.3850	0.000	1	124.3850	0.000	1	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H){1|H<1>,6|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6]N[5a,6]C[6])(H){6|C<3>}	127.9810	0.000	1	127.9810	0.000	1	127.9810	0.000	1	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	128.1100	0.000	1	128.1100	0.000	1	128.7095	0.450	20	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	128.6670	0.000	1	128.9457	0.976	3	128.7095	0.450	20	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	128.1270	0.000	1	128.9457	0.976	3	128.7095	0.450	20	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){2|C<3>,2|N<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.0430	0.000	1	128.9457	0.976	3	128.7095	0.450	20	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|Si<4>,3|C<3>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	128.3260	0.000	1	128.3260	0.000	1	128.7095	0.450	20	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	128.9220	0.000	1	128.5088	0.293	11	128.7095	0.450	20	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,3|C<3>}	127.7470	0.000	1	128.5088	0.293	11	128.7095	0.450	20	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	128.5190	0.000	1	128.5088	0.293	11	128.7095	0.450	20	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.2740	0.000	1	128.5088	0.293	11	128.7095	0.450	20	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	128.1280	0.437	2	128.5088	0.293	11	128.7095	0.450	20	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	127.8730	0.000	1	128.5088	0.293	11	128.7095	0.450	20	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	128.7515	0.395	4	128.5088	0.293	11	128.7095	0.450	20	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6a]N[6])(C[6a]N[6a]Cl)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|N<3>,2|N<2>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.1440	0.000	1	130.1440	0.000	1	128.7095	0.450	20	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	128.8970	0.000	1	128.8970	0.000	1	128.7095	0.450	20	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	128.9170	0.000	1	129.1390	0.099	2	128.7095	0.450	20	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	129.3610	0.000	1	129.1390	0.099	2	128.7095	0.450	20	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]C)(O)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|N<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]C)(O){1|C<4>,2|C<3>}	129.8870	0.000	1	129.8870	0.000	1	128.3926	1.392	5	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]H)(O)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O){1|O<2>,2|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|N<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]H)(O){1|C<4>,2|C<3>}	129.1300	0.000	1	129.1300	0.000	1	128.3926	1.392	5	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]C)(O)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]C)(O){1|C<4>,2|C<3>}	127.9340	0.000	1	127.9340	0.000	1	128.3926	1.392	5	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]H)(O)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O){1|S<2>,2|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]H)(O){1|C<4>,2|C<3>}	127.5060	1.004	2	127.5060	1.008	2	128.3926	1.392	5	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a]C[6a])(O)	N[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](N[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5a](N[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a]C[6a])(O){1|O<1>,5|C<3>}	129.6290	0.000	1	129.6290	0.000	1	129.6290	0.000	1	128.5052	1.242	28	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:S-2:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]S)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(SC)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]S){1|N<2>,2|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(SC){1|H<1>,3|C<3>}	133.6715	0.240	2	133.6715	0.057	2	133.6715	0.057	2	133.6715	0.057	2	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a]){2|H<1>,2|N<3>,6|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	128.3060	0.000	1	128.3060	0.000	1	128.3060	0.000	1	129.8531	1.475	7	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5a]-3:N[5a,6]-3:C-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,5a]C[6])(C[5a]C[5,5a]C)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a,6]C[5a,6]C[6,6a])(COO)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,5a]C[6])(C[5a]C[5,5a]C){2|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a,6]C[5a,6]C[6,6a])(COO){6|C<3>}	129.6300	0.000	1	129.6300	0.000	1	129.6300	0.000	1	129.8531	1.475	7	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]N[5a])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]N[5a])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	130.2610	0.000	1	130.2610	0.000	1	130.2072	1.444	5	129.8531	1.475	7	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	131.0450	0.051	2	131.0450	0.003	2	130.2072	1.444	5	129.8531	1.475	7	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	130.5410	0.000	1	130.5410	0.000	1	130.2072	1.444	5	129.8531	1.475	7	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|S<2>,3|H<1>,6|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	128.1440	0.000	1	128.1440	0.000	1	130.2072	1.444	5	129.8531	1.475	7	129.3561	3.678	46	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6,6a]	C[5a]	3:3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6,6a]-3:C[6]-2:	N[5a,6a]-3:C[3]-4:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C[3])	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]N[6])(C[6]C[6])	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C[3]){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|N<2>}	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]N[6])(C[6]C[6]){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|C<2>,2|C<3>,4|H<1>}	133.9000	0.000	1	133.9000	0.000	1	133.9000	0.000	1	133.7115	0.071	2	133.7115	0.071	2	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6,6a]	C[5a]	3:3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6,6a]-3:N[6]-2:	N[5a,6a]-3:C[3]-4:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]N[5a]C[3])	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]C[6])(N[6]C[6])	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]N[5a]C[3]){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]C[6])(N[6]C[6]){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|N<2>,2|C<3>,4|H<1>}	133.5230	0.000	1	133.5230	0.000	1	133.5230	0.000	1	133.7115	0.071	2	133.7115	0.071	2	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	N[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]H)	N[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]H){1|H<1>,5|C<3>}	129.8290	0.000	1	129.8290	0.000	1	129.8290	0.000	1	129.8290	0.000	1	129.8290	0.000	1	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(N[6]C[6]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(N[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	131.7590	0.000	1	131.9140	0.048	2	131.9140	0.048	2	131.9140	0.048	2	131.9140	0.048	2	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(N[6]C[6]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(N[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	132.0690	0.000	1	131.9140	0.048	2	131.9140	0.048	2	131.9140	0.048	2	131.9140	0.048	2	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a]){1|C<2>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	131.2480	0.000	1	131.2480	0.000	1	131.2480	0.000	1	129.7333	1.724	3	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	128.9760	0.082	2	128.9760	0.007	2	128.9760	0.007	2	129.7333	1.724	3	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	130.7850	0.000	1	130.7850	0.000	1	130.7850	0.000	1	130.5200	0.140	2	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){3|H<1>,4|C<3>}	130.2550	0.000	1	130.2550	0.000	1	130.2550	0.000	1	130.5200	0.140	2	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6,6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a,6a]B[6,6,6a]C[6,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a]){1|B<3>,2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a,6a]B[6,6,6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	131.5900	0.000	1	131.5900	0.000	1	131.5900	0.000	1	131.3039	2.197	25	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,6|C<3>}	132.3780	0.000	1	132.3780	0.000	1	132.3780	0.000	1	131.3039	2.197	25	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	134.4990	0.000	1	134.4990	0.000	1	134.4990	0.000	1	131.3039	2.197	25	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	130.6213	0.191	4	130.6213	0.036	4	130.6213	0.036	4	131.3039	2.197	25	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|O<2>,2|H<1>,4|C<3>}	132.0430	0.000	1	132.0430	0.000	1	132.1355	0.017	2	131.3039	2.197	25	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	132.2280	0.000	1	132.2280	0.000	1	132.1355	0.017	2	131.3039	2.197	25	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	129.6490	0.331	2	129.9300	0.519	8	131.0779	3.078	13	131.3039	2.197	25	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	129.4730	0.000	1	129.9300	0.519	8	131.0779	3.078	13	131.3039	2.197	25	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	129.7897	0.441	4	129.9300	0.519	8	131.0779	3.078	13	131.3039	2.197	25	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){3|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	131.5100	0.000	1	129.9300	0.519	8	131.0779	3.078	13	131.3039	2.197	25	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O){6|C<3>}	133.5460	0.000	1	134.0750	0.560	2	131.0779	3.078	13	131.3039	2.197	25	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	134.6040	0.000	1	134.0750	0.560	2	131.0779	3.078	13	131.3039	2.197	25	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	131.5710	0.000	1	131.7875	0.094	2	131.0779	3.078	13	131.3039	2.197	25	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a]){2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	132.0040	0.000	1	131.7875	0.094	2	131.0779	3.078	13	131.3039	2.197	25	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a]){2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	132.8480	0.000	1	132.8480	0.000	1	131.0779	3.078	13	131.3039	2.197	25	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[5a,6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,6|C<3>}	131.1207	0.317	3	131.1207	0.100	3	131.1207	0.100	3	131.3039	2.197	25	131.0946	2.194	30	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|N<2>,3|C<3>}	127.8190	0.000	1	127.8190	0.000	1	129.5518	0.932	6	129.5518	0.932	6	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|N<2>,3|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){1|N<2>,2|C<3>}	129.7730	0.000	1	129.7730	0.000	1	129.5518	0.932	6	129.5518	0.932	6	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	129.5040	0.000	1	129.9298	0.346	4	129.5518	0.932	6	129.5518	0.932	6	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	130.0717	0.631	3	129.9298	0.346	4	129.5518	0.932	6	129.5518	0.932	6	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CHHN)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CHHN){1|N<2>,4|C<3>}	131.9760	0.343	4	131.9760	0.118	4	131.9760	0.118	4	131.9760	0.118	4	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:2:	3:4:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[3]-4:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[3])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[3]C[3]2H)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[3]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[3]C[3]2H)(N[5a]N[5a]){1|N<2>,2|C<3>,4|H<1>}	134.8012	0.294	4	134.8012	0.087	4	134.8012	0.087	4	134.8012	0.087	4	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C-4:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CCHH)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CCHH){3|C<3>}	134.2100	0.000	1	134.2100	0.000	1	134.2562	1.973	5	134.2562	1.973	5	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C-4:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){3|C<3>}	133.3860	0.000	1	133.4637	0.065	3	134.2562	1.973	5	134.2562	1.973	5	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C-4:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){3|C<3>}	133.5025	0.349	2	133.4637	0.065	3	134.2562	1.973	5	134.2562	1.973	5	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C-4:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CF3)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CF3){3|C<3>}	136.6800	0.000	1	136.6800	0.000	1	134.2562	1.973	5	134.2562	1.973	5	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H){4|C<3>}	128.8800	0.000	1	128.8800	0.000	1	129.7137	1.219	23	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.0640	0.000	1	128.5213	0.174	6	129.7137	1.219	23	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|Si<4>,3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	128.2650	0.000	1	128.5213	0.174	6	129.7137	1.219	23	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,3|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	128.9850	0.000	1	128.5213	0.174	6	129.7137	1.219	23	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	128.2713	0.229	3	128.5213	0.174	6	129.7137	1.219	23	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C){3|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	131.8690	0.000	1	131.8690	0.000	1	129.7137	1.219	23	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|C<2>,3|C<3>}	131.0460	0.000	1	129.8980	0.709	11	129.7137	1.219	23	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	130.5340	0.000	1	129.8980	0.709	11	129.7137	1.219	23	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	130.9300	0.000	1	129.8980	0.709	11	129.7137	1.219	23	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|I<1>,1|N<2>,2|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|I<1>,3|C<3>}	130.7040	0.000	1	129.8980	0.709	11	129.7137	1.219	23	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.3268	0.657	5	129.8980	0.709	11	129.7137	1.219	23	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.4820	0.000	1	129.8980	0.709	11	129.7137	1.219	23	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.5480	0.000	1	129.8980	0.709	11	129.7137	1.219	23	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	130.2845	0.238	2	130.2845	0.057	2	129.7137	1.219	23	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[5])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	130.6270	0.000	1	130.6270	0.000	1	129.7137	1.219	23	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[6])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	131.4650	0.000	1	131.4650	0.000	1	129.7137	1.219	23	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:O-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,5|C<3>}	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(O){1|C<4>,3|C<3>}	127.9850	0.000	1	127.9850	0.000	1	127.9850	0.000	1	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:O-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O){1|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(O){1|H<1>,5|C<3>}	129.3530	0.000	1	129.3530	0.000	1	129.3530	0.000	1	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:O-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(O){1|C<4>,3|C<3>}	129.3290	0.454	2	129.3290	0.206	2	130.0680	1.741	3	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:O-1:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(O){5|C<3>}	131.5460	0.000	1	131.5460	0.000	1	130.0680	1.741	3	129.6771	1.250	28	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	135.9890	0.643	2	135.9890	0.414	2	135.9890	0.414	2	133.5660	2.631	8	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,5|C<3>}	132.7890	0.000	1	132.7890	0.000	1	132.7890	0.000	1	133.5660	2.631	8	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:O-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]S)(OC)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]S)(OC){1|S<2>,3|C<3>}	131.7140	0.000	1	131.7140	0.000	1	131.7140	0.000	1	133.5660	2.631	8	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:S-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(SC)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S){1|N<2>,2|C<3>,4|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(SC){1|H<1>,3|C<3>}	133.2005	0.708	2	133.2005	0.501	2	133.2005	0.501	2	133.5660	2.631	8	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|H<1>,5|C<3>}	132.4010	0.000	1	132.4010	0.000	1	132.8230	0.356	2	133.5660	2.631	8	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a]){2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	133.2450	0.000	1	133.2450	0.000	1	132.8230	0.356	2	133.5660	2.631	8	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C)(COO)	N[5a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a](N[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C)(COO){1|C<4>,3|C<3>}	135.7700	0.000	1	135.7700	0.000	1	135.7700	0.000	1	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,7|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	130.0720	0.000	1	130.0720	0.000	1	130.0720	0.000	1	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(COO)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(COO){6|C<3>}	129.6860	0.000	1	129.6860	0.000	1	129.6860	0.000	1	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(CC[6a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(CC[6a]O){4|C<3>}	130.9190	0.000	1	130.9190	0.000	1	130.8512	0.724	8	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(COO){1|C<4>,3|C<3>}	130.8320	0.000	1	130.8320	0.000	1	130.8512	0.724	8	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|H<1>,1|N<2>,4|C<3>}	130.7890	0.000	1	130.7890	0.000	1	130.8512	0.724	8	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|Br<1>,3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O){1|Br<1>,3|C<3>}	130.5940	0.000	1	130.8540	1.264	5	130.8512	0.724	8	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O){1|O<2>,3|C<3>}	131.3530	0.997	2	130.8540	1.264	5	130.8512	0.724	8	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|C<3>,4|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	130.4850	1.796	2	130.8540	1.264	5	130.8512	0.724	8	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[5a]2)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[5a]2){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	133.8070	0.209	2	133.8070	0.044	2	133.8070	0.044	2	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,5|C<3>}	130.4060	0.000	1	130.2393	0.021	3	130.4792	0.619	6	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	130.1560	0.021	2	130.2393	0.021	3	130.4792	0.619	6	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	129.4670	0.000	1	129.4670	0.000	1	130.4792	0.619	6	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	130.9220	0.000	1	130.9220	0.000	1	130.4792	0.619	6	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[5])(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	131.7680	0.000	1	131.7680	0.000	1	130.4792	0.619	6	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(NCH)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(NCH){5|C<3>}	132.8000	0.000	1	132.8000	0.000	1	132.8000	0.000	1	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[6])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(N[6]C[6]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[6]){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(N[6]C[6]2){2|C<4>,3|C<3>,5|H<1>}	131.3470	0.000	1	131.3470	0.000	1	131.3470	0.000	1	131.2845	2.639	21	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(CF3)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(CF3){1|C<4>,3|C<3>}	132.3400	0.000	1	132.3400	0.000	1	131.7060	0.416	3	132.2053	1.274	4	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	131.0510	0.000	1	131.3890	0.228	2	131.7060	0.416	3	132.2053	1.274	4	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	131.7270	0.000	1	131.3890	0.228	2	131.7060	0.416	3	132.2053	1.274	4	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CH3)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C){1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CH3){1|O<1>,3|C<3>}	133.7030	0.000	1	133.7030	0.000	1	133.7030	0.000	1	132.2053	1.274	4	131.2623	4.466	80	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:N[5a,6a]-3:N[5a]-3:	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	134.5240	0.000	1	134.5240	0.000	1	134.5240	0.000	1	134.4185	0.022	2	134.4185	0.022	2	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,5a](N[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C)	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,5a](N[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C){2|H<1>,3|C<3>}	134.3130	0.000	1	134.3130	0.000	1	134.3130	0.000	1	134.4185	0.022	2	134.4185	0.022	2	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5,6]-3:C[5a,6]-3:	N[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]C[5])(C[5a,6]N[5a]O[6])	N[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]C[5])(C[5a,6]N[5a]O[6]){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	131.1845	0.827	2	131.1845	0.683	2	131.1845	0.683	2	127.6474	14.228	9	127.8078	11.540	11	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	129.2920	0.000	1	129.2920	0.000	1	130.4630	2.742	2	127.6474	14.228	9	127.8078	11.540	11	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	131.6340	0.000	1	131.6340	0.000	1	130.4630	2.742	2	127.6474	14.228	9	127.8078	11.540	11	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	N[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|O<2>,4|H<1>,5|C<3>}	130.4600	0.000	1	130.4600	0.000	1	130.4600	0.000	1	127.6474	14.228	9	127.8078	11.540	11	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(O)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	N[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]O){2|F<1>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(O){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|O<1>,2|F<1>,2|H<1>,3|C<3>}	124.1945	0.675	2	124.1945	0.456	2	124.1945	0.456	2	127.6474	14.228	9	127.8078	11.540	11	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6a](C[5a,6a]B[5,5a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(O)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5,5a]C[6])(C[6]C[6]H)	N[5a,6a](C[5a,6a]B[5,5a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]O){2|O<2>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(O){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5,5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	123.3415	0.479	2	123.3415	0.229	2	123.3415	0.229	2	127.6474	14.228	9	127.8078	11.540	11	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	128.1430	0.000	1	128.1430	0.000	1	128.5295	0.299	2	128.5295	0.299	2	127.8078	11.540	11	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6]-3:C[6]-4:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6,6a]HH)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	128.9160	0.000	1	128.9160	0.000	1	128.5295	0.299	2	128.5295	0.299	2	127.8078	11.540	11	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(O){1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	127.5300	0.000	1	127.5300	0.000	1	127.5300	0.000	1	127.2225	0.189	2	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:O[6a]-2:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]O[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]O[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	126.9150	0.000	1	126.9150	0.000	1	126.9150	0.000	1	127.2225	0.189	2	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:C-4:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(CF3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(CF3){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	133.4230	0.000	1	133.4230	0.000	1	133.4230	0.000	1	133.4230	0.000	1	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	129.8570	0.000	1	129.8570	0.000	1	129.6487	3.350	3	129.6487	3.350	3	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){3|C<3>,4|H<1>}	127.7230	0.000	1	127.7230	0.000	1	129.6487	3.350	3	129.6487	3.350	3	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){2|H<1>,4|C<3>}	131.3660	0.000	1	131.3660	0.000	1	129.6487	3.350	3	129.6487	3.350	3	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[5a,6a]C[5a,6a]2)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[5a,6a]C[5a,6a]2)(H){2|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	131.6750	0.000	1	131.6750	0.000	1	131.6750	0.000	1	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	125.6030	0.000	1	125.6030	0.000	1	125.6030	0.000	1	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	126.4370	0.000	1	126.4370	0.000	1	127.5236	0.904	10	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O){1|F<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F){1|O<1>,2|F<1>,3|C<3>}	128.8080	0.000	1	128.8080	0.000	1	127.5236	0.904	10	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	127.8230	0.166	3	127.8230	0.027	3	127.5236	0.904	10	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	127.8190	0.000	1	127.8190	0.000	1	127.5236	0.904	10	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	127.9120	0.000	1	128.1255	0.091	2	127.5236	0.904	10	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	128.3390	0.000	1	128.1255	0.091	2	127.5236	0.904	10	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	126.8230	0.000	1	126.8230	0.000	1	127.5236	0.904	10	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|Br<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	125.6290	0.000	1	125.6290	0.000	1	127.5236	0.904	10	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	133.3170	0.069	3	133.3170	0.005	3	133.3170	0.005	3	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[5,6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6])	N[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	133.6240	0.000	1	133.6240	0.000	1	133.6240	0.000	1	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	128.3000	0.000	1	128.3000	0.000	1	130.4740	4.803	8	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,6|C<3>}	130.1540	0.000	1	130.1540	0.000	1	130.4740	4.803	8	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	127.8660	0.346	2	127.8660	0.120	2	130.4740	4.803	8	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	132.4820	0.253	3	132.4820	0.064	3	130.4740	4.803	8	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	132.1600	0.000	1	132.1600	0.000	1	130.4740	4.803	8	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	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[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	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>}	134.1980	0.000	1	134.1980	0.000	1	134.1980	0.000	1	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	128.6625	0.135	2	128.6625	0.018	2	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){3|C<3>,4|H<1>}	129.6280	0.593	2	129.6280	0.351	2	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	129.5913	0.572	3	129.5913	0.328	3	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	128.6080	0.591	2	128.1868	0.775	5	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	126.7080	0.000	1	128.1868	0.775	5	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	128.4520	0.000	1	128.1868	0.775	5	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	128.5580	0.000	1	128.1868	0.775	5	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	130.5930	0.000	1	130.5930	0.000	1	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(H){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	126.3920	0.000	1	126.3920	0.000	1	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	126.4650	0.000	1	126.4650	0.000	1	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	132.3650	0.509	2	132.3650	0.259	2	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	130.2495	0.759	4	130.2495	0.577	4	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	130.5640	0.000	1	130.5640	0.000	1	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<2>,1|H<1>,6|C<3>}	132.1536	0.243	5	132.2250	0.078	6	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<2>,1|H<1>,6|C<3>}	132.5820	0.000	1	132.2250	0.078	6	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	130.1510	0.000	1	130.1510	0.000	1	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	130.4800	0.000	1	130.4800	0.000	1	130.0004	3.271	30	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	128.4210	0.000	1	128.4210	0.000	1	127.6577	2.999	4	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	129.6950	0.000	1	129.6950	0.000	1	127.6577	2.999	4	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	126.6720	0.000	1	126.6720	0.000	1	127.6577	2.999	4	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	125.8430	0.000	1	125.8430	0.000	1	127.6577	2.999	4	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	124.6930	0.000	1	125.1147	0.140	3	125.1147	0.140	3	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	125.3255	0.111	2	125.1147	0.140	3	125.1147	0.140	3	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O){7|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	126.6400	0.000	1	126.6400	0.000	1	126.6290	1.075	6	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(O){1|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	125.4550	0.000	1	125.4550	0.000	1	126.6290	1.075	6	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|C<3>,4|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O){1|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	127.3300	0.000	1	127.4603	0.075	3	126.6290	1.075	6	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|C<3>,4|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	127.5255	0.354	2	127.4603	0.075	3	126.6290	1.075	6	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	125.2980	0.000	1	125.2980	0.000	1	126.6290	1.075	6	129.2624	6.344	68	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	130.8770	0.000	1	130.8770	0.000	1	130.8770	0.000	1	132.9170	1.661	5	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	133.4270	0.694	4	133.4270	0.481	4	133.4270	0.481	4	132.9170	1.661	5	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	134.1780	0.243	2	134.1780	0.059	2	134.1780	0.059	2	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){8|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	134.0260	0.000	1	134.0260	0.000	1	134.0260	0.000	1	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){8|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a]){1|H<1>,7|C<3>}	134.6930	0.000	1	134.6930	0.000	1	134.6930	0.000	1	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	132.2165	0.194	2	132.2165	0.038	2	132.2165	0.038	2	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	131.2230	0.000	1	131.2230	0.000	1	132.3478	0.905	13	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	132.7220	0.272	3	132.7018	0.051	4	132.3478	0.905	13	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){4|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	132.6410	0.000	1	132.7018	0.051	4	132.3478	0.905	13	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	131.9120	0.000	1	131.9120	0.000	1	132.3478	0.905	13	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	131.0400	0.000	1	131.0400	0.000	1	132.3478	0.905	13	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|I<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	130.8060	0.000	1	130.8060	0.000	1	132.3478	0.905	13	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	132.0120	0.000	1	132.3587	0.138	3	132.3478	0.905	13	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	132.5320	0.310	2	132.3587	0.138	3	132.3478	0.905	13	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	133.8290	0.000	1	133.8290	0.000	1	132.3478	0.905	13	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	133.8280	0.000	1	133.8280	0.000	1	132.3478	0.905	13	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH){1|O<1>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	128.2620	0.000	1	128.2620	0.000	1	128.2620	0.000	1	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[5a])	C[6a](N[5a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[5a]){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H){1|H<1>,8|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	131.0630	0.000	1	131.0630	0.000	1	131.0630	0.000	1	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5a,6a](N[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	132.4510	0.000	1	132.4510	0.000	1	132.4510	0.000	1	132.4457	2.102	22	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C-4:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[5a,6a]C[5a,6a]2)(CF3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[5a,6a]C[5a,6a]2)(CF3){1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	132.6010	0.000	1	132.6010	0.000	1	132.9435	0.235	2	131.9018	1.192	10	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C-4:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(CF3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(CF3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	133.2860	0.000	1	133.2860	0.000	1	132.9435	0.235	2	131.9018	1.192	10	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(CH3){1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	132.5230	0.000	1	132.5230	0.000	1	132.5230	0.000	1	131.9018	1.192	10	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]H)(CH3){1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	131.1095	0.654	2	131.1095	0.428	2	131.5154	1.148	7	131.9018	1.192	10	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH){1|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	130.0350	0.000	1	130.0350	0.000	1	131.5154	1.148	7	131.9018	1.192	10	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CF3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CF3){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	133.2510	0.000	1	133.2510	0.000	1	131.5154	1.148	7	131.9018	1.192	10	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CH3){1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	131.3455	0.257	2	131.3455	0.066	2	131.5154	1.148	7	131.9018	1.192	10	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	132.4120	0.000	1	132.4120	0.000	1	131.5154	1.148	7	131.9018	1.192	10	130.3069	6.889	111	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:Cl-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(Cl)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|Cl<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	129.8010	0.000	1	130.5270	1.054	2	130.5270	1.054	2	130.4596	1.360	11	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:Cl-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(Cl)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H){1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|Cl<1>,1|S<4>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(Cl){1|C<3>,1|N<2>,2|H<1>}	131.2530	0.000	1	130.5270	1.054	2	130.5270	1.054	2	130.4596	1.360	11	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	129.6425	1.067	2	129.4243	0.446	4	129.4243	0.446	4	130.4596	1.360	11	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	129.2060	0.098	2	129.4243	0.446	4	129.4243	0.446	4	130.4596	1.360	11	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:I-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(I)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]N[6a]H){1|C<3>,1|I<1>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|I<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(I){1|C<3>,1|H<1>,1|I<1>,1|N<2>}	131.1420	0.000	1	131.1420	0.000	1	131.1420	0.000	1	130.4596	1.360	11	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:O-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|O<1>,2|N<2>}	130.3505	0.354	2	130.3505	0.126	2	130.3505	0.126	2	130.4596	1.360	11	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:O-1:	N[5a,6a]-3:C[5a]-3:I-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O){1|C<3>,1|I<1>,1|N<2>,2|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I){1|C<4>,1|O<1>,2|N<2>}	132.2310	0.140	2	132.2310	0.020	2	132.2310	0.020	2	130.4596	1.360	11	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H){1|N<2>,1|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<2>}	131.3600	0.679	2	131.3600	0.461	2	131.6813	5.289	8	131.7418	3.922	11	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|Br<1>,1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|Br<1>,1|C<3>,1|H<1>,1|N<2>}	131.1340	0.000	1	131.0987	0.010	3	131.6813	5.289	8	131.7418	3.922	11	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|C<3>,1|N<2>,2|H<1>}	131.0810	0.132	2	131.0987	0.010	3	131.6813	5.289	8	131.7418	3.922	11	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,1|N<2>,2|C<3>}	127.8380	0.000	1	127.8380	0.000	1	131.6813	5.289	8	131.7418	3.922	11	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,2|C<3>,2|N<2>}	134.0500	0.000	1	134.0500	0.000	1	131.6813	5.289	8	131.7418	3.922	11	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,2|C<3>,2|N<2>}	135.5460	0.000	1	135.5460	0.000	1	131.6813	5.289	8	131.7418	3.922	11	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]H){5|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|N<2>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	131.3130	0.013	2	131.3130	0.000	2	131.3130	0.000	2	131.7418	3.922	11	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:N-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NOO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]H){1|C<3>,1|I<1>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NOO){1|C<3>,1|H<1>,1|I<1>,1|N<2>}	133.0840	0.000	1	133.0840	0.000	1	133.0840	0.000	1	131.7418	3.922	11	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:O-2:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|O<2>}	132.4510	0.000	1	132.4510	0.000	1	132.4510	0.000	1	132.4510	0.000	1	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|N<2>,3|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|N<2>,2|C<3>}	133.4100	0.000	1	133.4100	0.000	1	133.4100	0.000	1	133.4100	0.000	1	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<3>,2|C<3>,2|N<2>}	133.0087	0.439	3	133.0190	0.129	4	133.0190	0.129	4	133.0190	0.129	4	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<3>,2|C<3>,2|N<2>}	133.0500	0.000	1	133.0190	0.129	4	133.0190	0.129	4	133.0190	0.129	4	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:C-4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]N[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CH3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CH3){2|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	135.1050	0.000	1	135.1050	0.000	1	135.1050	0.000	1	135.1050	0.000	1	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:C-4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){5|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3){1|N<2>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	133.5970	0.392	2	133.5970	0.153	2	133.5970	0.153	2	133.5970	0.153	2	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	130.9120	0.000	1	130.9120	0.000	1	131.3725	0.424	2	130.3851	4.064	17	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	131.8330	0.000	1	131.8330	0.000	1	131.3725	0.424	2	130.3851	4.064	17	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	130.5591	0.576	12	130.5591	0.332	12	130.5591	0.332	12	130.3851	4.064	17	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O){2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|O<1>,2|C<3>}	128.6180	0.000	1	128.6180	0.000	1	128.6180	0.000	1	130.3851	4.064	17	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:O-1:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]H){4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|O<1>,3|C<3>}	124.0950	0.000	1	124.0950	0.000	1	124.0950	0.000	1	130.3851	4.064	17	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:Cl-1:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(Cl)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H){1|N<2>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|Cl<1>,2|C<3>}	134.3790	0.000	1	134.3790	0.000	1	134.3790	0.000	1	130.3851	4.064	17	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,1|I<1>,2|C<3>}	133.0130	0.000	1	133.0130	0.000	1	133.0130	0.000	1	133.0130	0.000	1	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C-4:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	131.5355	0.078	2	131.5355	0.006	2	131.9783	0.270	4	131.9783	0.270	4	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C-4:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	132.4210	0.144	2	132.4210	0.021	2	131.9783	0.270	4	131.9783	0.270	4	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	129.1880	0.000	1	129.1880	0.000	1	129.1880	0.000	1	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){2|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|O<1>,3|C<3>}	130.0800	0.000	1	130.0800	0.000	1	130.0800	0.000	1	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5,5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	127.9710	0.000	1	127.9710	0.000	1	127.9710	0.000	1	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:Cl-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(Cl)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(Cl){1|H<1>,1|N<3>,4|C<3>}	129.4310	0.000	1	129.4310	0.000	1	131.2950	3.524	3	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:Cl-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(Cl)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(Cl){1|H<1>,4|C<3>}	131.2690	0.000	1	131.2690	0.000	1	131.2950	3.524	3	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:Cl-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|N<2>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl){1|H<1>,2|C<3>}	133.1850	0.000	1	133.1850	0.000	1	131.2950	3.524	3	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,2|H<1>,3|C<3>}	128.9340	0.000	1	128.9340	0.000	1	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	128.9860	0.000	1	128.9860	0.000	1	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	127.9280	0.000	1	127.9280	0.000	1	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	130.5000	0.000	1	129.8400	0.871	2	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H){2|C<3>,2|H<1>,2|N<3>}	129.1800	0.000	1	129.8400	0.871	2	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	128.8720	0.000	1	128.8720	0.000	1	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	127.3755	0.317	2	127.3755	0.101	2	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(H){1|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	129.5950	0.000	1	129.5950	0.000	1	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	129.9360	0.000	1	129.9360	0.000	1	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]O[6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]O[6a]C)(H){1|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	130.0960	0.000	1	130.0960	0.000	1	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	127.6520	0.000	1	127.6520	0.000	1	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	124.7580	0.000	1	124.7580	0.000	1	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	130.3770	0.000	1	130.3770	0.000	1	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	131.0180	0.000	1	131.0180	0.000	1	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	130.4795	0.357	4	130.2620	0.332	5	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	129.3920	0.000	1	130.2620	0.332	5	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	131.3640	0.245	2	131.3640	0.060	2	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	130.6810	0.000	1	130.0337	0.319	3	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	129.7100	0.100	2	130.0337	0.319	3	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	130.3263	0.121	3	130.3263	0.015	3	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	129.9323	0.409	3	130.2465	0.506	4	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	131.1890	0.000	1	130.2465	0.506	4	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	130.4600	0.000	1	130.4600	0.000	1	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	130.6790	0.000	1	130.7636	0.416	10	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	131.5240	0.000	1	130.7636	0.416	10	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	130.6791	0.665	8	130.7636	0.416	10	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	130.1340	0.000	1	131.1275	1.974	2	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	132.1210	0.000	1	131.1275	1.974	2	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	131.2075	0.552	2	131.1380	0.167	3	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	130.9990	0.000	1	131.1380	0.167	3	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	130.3040	0.000	1	130.3040	0.000	1	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[5a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[5a])(H){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	129.9960	0.468	2	129.9960	0.219	2	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	130.8170	0.123	2	130.8170	0.015	2	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	132.2660	0.000	1	132.2660	0.000	1	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	133.0553	0.787	3	133.0553	0.620	3	130.2774	2.058	57	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:I-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(I)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(I){1|H<1>,4|C<3>}	129.9035	0.695	2	129.9035	0.483	2	129.9035	0.483	2	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:O-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(O){1|H<1>,4|C<3>}	130.4180	0.689	2	130.4180	0.474	2	130.6943	0.466	3	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:O-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(O){1|H<1>,2|C<3>}	131.2470	0.000	1	131.2470	0.000	1	130.6943	0.466	3	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-3:O-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(O){1|H<1>,2|C<3>}	128.4873	0.296	3	128.4873	0.088	3	128.4873	0.088	3	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,1|S<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	128.9730	0.000	1	128.9730	0.000	1	126.7278	8.298	5	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	129.4160	0.000	1	129.4160	0.000	1	126.7278	8.298	5	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	127.9880	0.000	1	127.9880	0.000	1	126.7278	8.298	5	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|C<3>,1|N<2>,1|O<1>}	123.3530	0.000	1	123.3530	0.000	1	126.7278	8.298	5	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<3>,1|N<2>,1|O<1>}	123.9090	0.000	1	123.9090	0.000	1	126.7278	8.298	5	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	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>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>,1|O<1>}	127.5460	0.000	1	127.5460	0.000	1	127.5460	0.000	1	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(O){1|C<4>,1|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>}	125.4050	0.000	1	125.4050	0.000	1	125.4050	0.000	1	129.8831	3.367	78	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5,5a]-3:C-2:	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CN)	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CN){1|C<4>,3|C<3>,3|H<1>}	128.3020	0.000	1	128.3020	0.000	1	128.3020	0.000	1	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	133.6830	0.812	2	133.6830	0.659	2	131.4975	6.590	4	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN){1|F<1>,1|H<1>,4|C<3>}	129.3120	0.074	2	129.3120	0.005	2	131.4975	6.590	4	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC){1|H<1>,4|C<3>}	130.5380	0.000	1	130.3387	0.039	3	131.2595	1.108	6	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC){1|H<1>,4|C<3>}	130.2390	0.139	2	130.3387	0.039	3	131.2595	1.108	6	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO){1|H<1>,4|C<3>}	131.9580	0.279	2	131.9580	0.078	2	131.2595	1.108	6	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO){1|H<1>,1|N<2>,3|C<3>}	132.6250	0.000	1	132.6250	0.000	1	131.2595	1.108	6	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){1|C<2>,2|H<1>,4|C<3>}	130.6550	0.000	1	130.6550	0.000	1	130.6550	0.000	1	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:O-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC){1|H<1>,4|C<3>}	130.6230	0.182	2	130.6230	0.033	2	130.6230	0.033	2	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:S-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]){1|H<1>,3|C<3>}	128.5490	0.000	1	128.5490	0.000	1	130.6668	0.628	13	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:S-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|S<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]){1|H<1>,4|C<3>}	130.0970	0.000	1	130.0970	0.000	1	130.6668	0.628	13	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:S-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC){1|H<1>,4|C<3>}	130.5847	0.220	3	130.5847	0.048	3	130.6668	0.628	13	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:S-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC){1|H<1>,4|C<3>}	131.1770	0.000	1	131.1770	0.000	1	130.6668	0.628	13	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:S-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[5a]){1|H<1>,4|C<3>}	131.1903	0.536	3	131.1903	0.288	3	130.6668	0.628	13	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:S-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]){1|H<1>,4|C<3>}	130.9590	0.589	3	130.9590	0.347	3	130.6668	0.628	13	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:S-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC){1|H<1>,4|C<3>}	130.6430	0.000	1	130.6430	0.000	1	130.6668	0.628	13	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:Se-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SeC[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SeC[5a]){1|H<1>,4|C<3>}	131.1898	0.239	4	131.1898	0.057	4	131.0655	0.089	6	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:Se-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SeSe)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SeSe){1|H<1>,4|C<3>}	130.8170	0.294	2	130.8170	0.087	2	131.0655	0.089	6	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	131.4650	0.000	1	131.4650	0.000	1	132.2259	0.685	16	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	131.6900	0.000	1	131.4873	0.748	3	132.2259	0.685	16	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	131.3860	1.198	2	131.4873	0.748	3	132.2259	0.685	16	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<2>,2|H<1>,4|C<3>}	131.5720	0.000	1	132.1359	0.283	8	132.2259	0.685	16	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	132.3518	0.523	4	132.1359	0.283	8	132.2259	0.685	16	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	132.6250	0.000	1	132.1359	0.283	8	132.2259	0.685	16	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	131.9690	0.000	1	132.1359	0.283	8	132.2259	0.685	16	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	131.5140	0.000	1	132.1359	0.283	8	132.2259	0.685	16	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	133.5090	0.000	1	133.5090	0.000	1	132.2259	0.685	16	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	132.2490	0.000	1	132.2490	0.000	1	132.2259	0.685	16	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	133.4960	0.000	1	133.4960	0.000	1	132.2259	0.685	16	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	133.3460	0.000	1	133.3460	0.000	1	132.2259	0.685	16	131.3148	1.528	49	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	128.6950	0.000	1	128.6950	0.000	1	128.6950	0.000	1	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O){1|N<2>,2|H<1>,3|C<3>}	128.8030	0.000	1	128.8030	0.000	1	129.5220	0.409	4	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C-3:	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O){2|H<1>,4|C<3>}	129.5770	0.000	1	129.7617	0.269	3	129.5220	0.409	4	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C-3:	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O){2|H<1>,4|C<3>}	129.8540	0.697	2	129.7617	0.269	3	129.5220	0.409	4	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]O){1|N<3>,3|C<3>,4|H<1>}	130.8710	1.570	2	130.8710	2.464	2	130.8710	2.464	2	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCH){1|C<4>,1|H<1>,2|C<3>}	130.6120	0.000	1	130.6120	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	129.2582	0.285	5	129.2582	0.082	5	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	130.8320	0.000	1	130.4067	0.589	3	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,1|S<2>,2|C<3>}	130.8670	0.000	1	130.4067	0.589	3	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	129.5210	0.000	1	130.4067	0.589	3	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCC){2|H<1>,4|C<3>}	130.0955	0.531	2	130.0955	0.282	2	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCH){1|C<4>,1|H<1>,4|C<3>}	129.1550	0.129	2	129.0257	0.058	3	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCH){2|H<1>,4|C<3>}	128.7670	0.000	1	129.0257	0.058	3	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[5a]H){1|C<4>,1|H<1>,4|C<3>}	129.2335	0.381	2	129.2335	0.145	2	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|H<1>,5|C<3>}	129.3550	0.000	1	129.3550	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CHN)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CHN){2|H<1>,4|C<3>}	130.5130	0.000	1	130.5130	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH){1|H<1>,3|C<3>}	129.2880	0.000	1	129.0860	0.082	2	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH){1|H<1>,3|C<3>}	128.8840	0.000	1	129.0860	0.082	2	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	130.7660	0.000	1	129.7742	0.463	6	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	129.6840	0.723	3	129.7742	0.463	6	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	129.4135	0.052	2	129.7742	0.463	6	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	131.0580	0.000	1	131.0580	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CCC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CCC){2|C<3>,2|H<1>}	128.1195	0.213	2	128.1195	0.045	2	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[3]O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[3]O){1|H<1>,3|C<3>}	127.0140	0.000	1	127.0140	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	129.2730	0.000	1	129.2730	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<2>,1|H<1>,4|C<3>}	128.8860	0.000	1	128.8860	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){2|C<3>,2|H<1>}	129.8140	0.000	1	129.0520	1.161	2	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	128.2900	0.000	1	129.0520	1.161	2	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	126.3470	0.000	1	126.3470	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){1|H<1>,2|C<3>}	131.0640	0.000	1	131.0640	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|H<1>,2|C<3>}	131.6950	0.000	1	131.6950	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCH){1|H<1>,1|N<3>,3|C<3>}	131.5690	0.000	2	131.5690	0.000	2	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCN)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCN){1|H<1>,4|C<3>}	132.1720	0.000	1	132.1720	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO){1|H<1>,4|C<3>}	130.9180	0.000	1	130.9180	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|H<1>,4|C<3>}	131.0790	0.000	1	131.0790	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO){1|H<1>,4|C<3>}	131.3733	0.338	3	131.3733	0.115	3	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,4|C<3>}	132.0970	0.000	1	132.0970	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,2|C<3>}	131.5620	0.283	3	131.5620	0.080	3	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){1|H<1>,2|C<3>}	131.0320	0.000	1	131.0320	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO){1|H<1>,2|C<3>}	130.8100	0.000	1	130.8100	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6]){2|C<3>,2|H<1>}	129.9932	0.334	6	129.9932	0.112	6	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]H){2|C<3>,2|H<1>}	128.3400	0.000	1	128.3400	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	129.8600	0.000	1	129.8600	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CHO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CHO){1|H<1>,2|C<3>}	131.3610	0.000	1	131.3610	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO){1|H<1>,4|C<3>}	131.3270	0.000	1	131.3270	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(COO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(COO){1|H<1>,2|C<3>}	131.1870	0.000	1	131.1870	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<3>,1|H<1>,1|N<2>}	132.8140	0.000	1	132.8140	0.000	1	130.0813	1.629	63	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,5|C<3>}	129.6360	0.000	1	129.6360	0.000	1	129.9207	3.647	6	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]H){2|H<1>,6|C<3>}	128.3160	1.293	2	128.3160	1.671	2	129.9207	3.647	6	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O){1|N<3>,2|H<1>,4|C<3>}	129.9850	0.000	2	129.9850	0.000	2	129.9207	3.647	6	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	133.2860	0.000	1	133.2860	0.000	1	129.9207	3.647	6	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){7|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	128.2000	0.000	1	128.2000	0.000	1	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	127.7760	0.000	1	127.7760	0.000	1	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	129.6357	0.256	3	129.4568	0.187	6	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	128.9920	0.000	1	129.4568	0.187	6	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	129.9160	0.000	1	129.4568	0.187	6	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	128.9260	0.000	1	129.4568	0.187	6	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	130.4690	0.052	2	129.9787	0.237	7	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	130.1235	0.269	2	129.9787	0.237	7	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	129.9330	0.000	1	129.9787	0.237	7	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	129.3665	0.268	2	129.9787	0.237	7	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){3|H<1>,5|C<3>}	127.9190	0.000	1	127.9190	0.000	1	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	130.2180	0.235	2	130.2180	0.055	2	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	130.6875	0.593	2	131.1042	0.357	5	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	131.3820	0.498	3	131.1042	0.357	5	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(C[6a]C[6a]2){3|H<1>,4|C<3>}	130.4360	0.231	2	130.4360	0.053	2	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	131.5236	0.267	5	131.5236	0.071	5	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	130.9880	0.000	1	131.6433	0.460	3	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	131.9710	0.525	2	131.6433	0.460	3	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,3|H<1>}	132.2330	0.000	1	132.2330	0.000	1	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|N<2>,3|C<3>,3|H<1>}	133.3920	0.000	1	133.3920	0.000	1	130.4425	1.627	35	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6a]2){2|C<3>,2|H<1>}	129.2740	0.000	1	129.2740	0.000	1	130.9001	1.283	16	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|H<1>,4|C<3>}	130.6165	0.261	2	130.6165	0.068	2	130.9001	1.283	16	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6]H){1|H<1>,4|C<3>}	129.3840	0.000	1	129.3840	0.000	1	130.9001	1.283	16	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C){1|H<1>,4|C<3>}	130.4045	0.394	4	130.4045	0.156	4	130.9001	1.283	16	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NOO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NOO){1|H<1>,4|C<3>}	133.3130	0.000	1	133.3130	0.000	1	130.9001	1.283	16	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NSS)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NSS){1|H<1>,4|C<3>}	131.6290	0.399	2	131.6290	0.159	2	130.9001	1.283	16	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NCH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NCH){1|H<1>,2|C<3>}	129.8130	0.000	1	129.8130	0.000	1	130.9001	1.283	16	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NC[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NC[6a]H){1|H<1>,2|C<3>}	130.3490	0.000	1	130.3490	0.000	1	130.9001	1.283	16	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|H<1>,4|C<3>}	131.9955	0.296	2	131.9955	0.088	2	130.9001	1.283	16	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N-3:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|H<1>,1|N<2>,3|C<3>}	132.1690	0.000	1	132.1690	0.000	1	130.9001	1.283	16	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	129.5550	0.000	1	129.5550	0.000	1	130.3587	0.298	8	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){2|H<1>,6|C<3>}	129.4510	0.000	1	129.4510	0.000	1	130.3587	0.298	8	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){1|O<2>,2|H<1>,4|C<3>}	130.9170	0.000	1	130.7525	0.054	2	130.3587	0.298	8	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	130.5880	0.000	1	130.7525	0.054	2	130.3587	0.298	8	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,4|C<3>}	130.5898	0.109	4	130.5898	0.012	4	130.3587	0.298	8	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){1|H<1>,8|C<3>}	130.6590	0.000	1	130.6590	0.000	1	130.6590	0.000	1	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[5]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]N[5a,6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])2(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]N[5a,6a]O){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])2(O){7|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	126.5770	0.000	1	126.5770	0.000	1	126.5770	0.000	1	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]C[5a]C){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O){7|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO){1|O<1>,5|C<3>}	126.3730	0.000	1	126.3730	0.000	1	126.3730	0.000	1	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:Br-1:	N[5a,6a]-3:C[5a]-3:N-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]N)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|Br<1>,4|C<3>}	133.9860	0.000	1	133.9860	0.000	1	133.9860	0.000	1	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])2(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])2(O){7|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	128.5960	0.000	1	128.5960	0.000	1	128.5960	0.000	1	130.2295	1.876	140	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	127.9265	0.153	2	127.9265	0.024	2	128.0023	0.029	3	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN){2|C<3>,2|H<1>}	128.1540	0.000	1	128.1540	0.000	1	128.0023	0.029	3	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]C){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3){1|O<1>,3|C<3>}	130.8790	0.000	1	130.8790	0.000	1	130.8790	0.000	1	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]O[6a])(N[5a,6a]C[5a,6a]C[6a])(CCHH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]O[6a])(N[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,4|C<3>}	128.0290	0.000	1	128.0290	0.000	1	128.0290	0.000	1	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	129.1480	0.000	1	129.1480	0.000	1	130.5233	1.811	15	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]N[6]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]N[6]H){1|H<1>,5|C<3>}	129.8340	0.000	1	129.8340	0.000	1	130.5233	1.811	15	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CHHN)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CHHN){1|H<1>,5|C<3>}	128.6780	0.000	1	128.6780	0.000	1	130.5233	1.811	15	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){2|C<3>,2|H<1>}	128.2520	0.000	1	128.2520	0.000	1	130.5233	1.811	15	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	131.3090	0.000	1	131.3090	0.000	1	130.5233	1.811	15	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	131.2410	0.000	1	131.2410	0.000	1	130.5233	1.811	15	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HN)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|C<4>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HN){1|H<1>,4|C<3>}	131.7660	0.000	1	131.7660	0.000	1	130.5233	1.811	15	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHN)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHN){1|H<1>,4|C<3>}	129.2210	0.000	1	129.2210	0.000	1	130.5233	1.811	15	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO){1|H<1>,4|C<3>}	130.3430	0.000	1	130.3430	0.000	1	130.5233	1.811	15	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHS)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHS){1|H<1>,4|C<3>}	132.0790	0.000	1	132.0790	0.000	1	130.5233	1.811	15	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN[6]HH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN[6]HH){1|H<1>,4|C<3>}	130.2960	0.000	1	130.2960	0.000	1	130.5233	1.811	15	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	131.8860	0.000	1	131.8860	0.000	1	130.5233	1.811	15	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|H<1>,2|C<3>}	129.7250	0.000	1	129.7250	0.000	1	130.5233	1.811	15	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	132.0360	0.694	2	132.0360	0.482	2	130.5233	1.811	15	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:P-4:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2O){1|H<1>,2|C<3>}	130.9110	0.000	1	130.9110	0.000	1	130.9110	0.000	1	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:S-4:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO){1|H<1>,4|C<3>}	132.4235	0.090	2	132.4235	0.008	2	132.0397	0.446	3	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:S-4:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(SNOO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(SNOO){1|H<1>,2|C<3>}	131.2720	0.000	1	131.2720	0.000	1	132.0397	0.446	3	130.3248	2.514	24	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6]-4:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	131.3155	0.049	2	131.3155	0.002	2	131.3155	0.002	2	131.3155	0.002	2	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|O<2>,2|C<3>}	128.5970	0.000	1	128.5970	0.000	1	128.5970	0.000	1	128.5970	0.000	1	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a]-3:C[5a]-3:N-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6]){1|O<2>,4|C<3>}	130.3580	0.000	1	130.3580	0.000	1	130.3580	0.000	1	130.3580	0.000	1	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|O<2>,3|C<3>}	128.4315	0.042	2	128.4315	0.002	2	128.4315	0.002	2	129.6333	4.334	3	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a]-3:C[5a]-3:N-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C){1|O<2>,4|C<3>}	132.0370	0.000	1	132.0370	0.000	1	132.0370	0.000	1	129.6333	4.334	3	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|O<2>,2|C<3>}	131.2770	0.000	1	131.2770	0.000	1	131.2770	0.000	1	131.2770	0.000	1	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:H-1:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<2>,1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<2>,1|N<2>,2|C<3>}	133.0830	0.000	1	133.0830	0.000	1	133.0830	0.000	1	133.0830	0.000	1	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C-4:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	133.5590	0.000	1	133.5590	0.000	1	133.5590	0.000	1	133.5590	0.000	1	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CC[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CC[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){3|C<3>}	131.1290	0.000	1	131.1290	0.000	1	131.7060	0.666	2	131.5071	3.514	8	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	132.2830	0.000	1	132.2830	0.000	1	131.7060	0.666	2	131.5071	3.514	8	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	127.3910	0.000	1	127.3910	0.000	1	127.3910	0.000	1	131.5071	3.514	8	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:C[5,6a]-3:N-3:	N[5a,6a]-3:C[5a]-3:Br-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCH)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(Br)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCH){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(Br){1|H<1>,1|N<3>,2|C<3>}	132.0150	0.000	1	132.0150	0.000	1	132.6675	0.223	4	131.5071	3.514	8	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:C[5,6a]-3:N-3:	N[5a,6a]-3:C[5a]-3:Br-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCN)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(Br)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCN){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(Br){1|H<1>,1|N<3>,2|C<3>}	132.9160	0.311	2	132.9160	0.097	2	132.6675	0.223	4	131.5071	3.514	8	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:C[5,6a]-3:N-3:	N[5a,6a]-3:C[5a]-3:Br-1:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NHS)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(Br)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NHS){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(Br){1|H<1>,1|N<3>,2|C<3>}	132.8230	0.000	1	132.8230	0.000	1	132.6675	0.223	4	131.5071	3.514	8	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]N[5a,6a]C[6a])(O)	N[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){7|C<3>}	C[6a](N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]N[5a,6a]C[6a])(O){1|H<1>,5|C<3>}	130.5840	0.000	1	130.5840	0.000	1	130.5840	0.000	1	131.5071	3.514	8	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(N[5a]N[5a]){1|H<1>,5|C<3>}	133.8700	0.000	1	133.8700	0.000	1	133.8345	0.003	2	133.8940	0.006	4	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){1|C<4>,1|N<2>,4|C<3>}	133.7990	0.000	1	133.7990	0.000	1	133.8345	0.003	2	133.8940	0.006	4	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	133.9535	0.023	2	133.9535	0.001	2	133.9535	0.001	2	133.8940	0.006	4	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(COO)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(COO){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	131.3150	0.000	1	131.3150	0.000	1	131.3150	0.000	1	129.8720	4.164	2	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]F)(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|F<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]F)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){4|C<3>}	128.4290	0.000	1	128.4290	0.000	1	128.4290	0.000	1	129.8720	4.164	2	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C-4:	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[6a](N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5a](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|O<1>,3|C<3>}	132.8585	0.078	2	132.8585	0.006	2	132.8585	0.006	2	132.8585	0.006	2	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[5a]-2:C-4:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,1|O<1>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>,1|N<3>}	134.9750	0.000	1	134.9750	0.000	1	134.9750	0.000	1	134.9750	0.000	1	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	130.4110	0.000	1	130.4110	0.000	1	131.4011	0.795	7	131.4011	0.795	7	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	130.2660	0.000	1	130.5805	0.198	2	131.4011	0.795	7	131.4011	0.795	7	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	130.8950	0.000	1	130.5805	0.198	2	131.4011	0.795	7	131.4011	0.795	7	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(CCCH)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(CCCH){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	131.7165	0.139	2	131.7165	0.019	2	131.4011	0.795	7	131.4011	0.795	7	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCCH)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	132.4015	0.158	2	132.4015	0.025	2	131.4011	0.795	7	131.4011	0.795	7	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CN)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<2>,1|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CN){1|C<4>,3|C<3>}	129.4900	0.000	1	129.4900	0.000	1	129.4900	0.000	1	129.4900	0.000	1	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[3]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|Br<1>,1|C<2>,1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[3]O){1|C<2>,1|C<4>,2|C<3>}	129.8277	0.227	3	129.8277	0.051	3	129.5069	0.585	8	130.5157	2.140	13	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]O){1|C<4>,3|C<3>}	128.1270	0.000	1	128.1270	0.000	1	129.5069	0.585	8	130.5157	2.140	13	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O){1|C<4>,3|C<3>}	130.0280	0.171	2	130.0280	0.029	2	129.5069	0.585	8	130.5157	2.140	13	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,3|C<3>}	129.9050	0.000	1	129.9050	0.000	1	129.5069	0.585	8	130.5157	2.140	13	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3){5|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,3|C<3>}	128.4840	0.000	1	128.4840	0.000	1	129.5069	0.585	8	130.5157	2.140	13	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|I<1>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	132.0800	0.350	4	132.0800	0.122	4	132.0800	0.122	4	130.5157	2.140	13	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:N-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|C<4>,4|C<3>}	132.3290	0.000	1	132.3290	0.000	1	132.3290	0.000	1	130.5157	2.140	13	130.5858	2.904	392	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:2:	C[5,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:N[5a]-3:O[5]-2:	N[5a](C[5,5a]C[5,5a]O[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a])(O[5]C[5,5])	N[5a](C[5,5a]C[5,5a]O[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	C[6a](N[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a])(O[5]C[5,5]){2|C<4>,5|C<3>}	130.5340	0.000	1	130.5340	0.000	1	130.5340	0.000	1	130.5340	0.000	1	122.6256	13.014	42	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:As[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a])	C[6a](N[5a]C[5,5a]As[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	C[6a](N[5a]C[5,5a]As[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a]){1|H<1>,6|C<3>}	124.0513	1.601	6	124.0513	2.564	6	123.2205	4.257	8	124.2223	12.758	9	122.6256	13.014	42	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:As[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a])	C[6a](N[5a]C[5,5a]As[5a])(C[6a]C[6a]C)2	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a]){2|C<4>,6|C<3>}	C[6a](N[5a]C[5,5a]As[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a]){1|H<1>,6|C<3>}	120.7280	0.641	2	120.7280	0.410	2	123.2205	4.257	8	124.2223	12.758	9	122.6256	13.014	42	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a]){1|C<4>,2|H<1>,5|C<3>}	132.2370	0.000	1	132.2370	0.000	1	132.2370	0.000	1	124.2223	12.758	9	122.6256	13.014	42	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|Br<1>,1|H<1>,6|C<3>}	123.2440	1.171	4	123.2440	1.370	4	120.9793	4.004	26	122.0195	11.262	30	122.6256	13.014	42	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]I)(C[6a]C[6a]2)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]I)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|I<1>,6|C<3>}	122.2028	1.474	6	122.2028	2.172	6	120.9793	4.004	26	122.0195	11.262	30	122.6256	13.014	42	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	119.9617	2.053	6	119.7012	2.430	14	120.9793	4.004	26	122.0195	11.262	30	122.6256	13.014	42	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2){3|C<4>,7|C<3>}	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	119.5059	1.183	8	119.7012	2.430	14	120.9793	4.004	26	122.0195	11.262	30	122.6256	13.014	42	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]S)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{1|N<3>,1|S<1>,2|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|S<1>,6|C<3>}	121.7265	0.216	2	121.7265	0.047	2	120.9793	4.004	26	122.0195	11.262	30	122.6256	13.014	42	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,1|O<1>,6|C<3>}	127.1810	0.000	1	127.1810	0.000	1	127.6543	0.168	3	122.0195	11.262	30	122.6256	13.014	42	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|Si<4>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	127.8910	0.000	2	127.8910	0.000	2	127.6543	0.168	3	122.0195	11.262	30	122.6256	13.014	42	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(N[5a]C[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	132.1580	0.000	1	132.1580	0.000	1	132.1580	0.000	1	122.0195	11.262	30	122.6256	13.014	42	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5,5a]	3:4:3:	3:3:3:	3:3:3:	C[5,5a]-3:B[5a]-4:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br2)(C[6a]C[6a]2)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br2)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{2|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){2|Br<1>,1|H<1>,6|C<3>}	120.5780	0.181	2	120.5780	0.033	2	120.5780	0.033	2	120.5780	0.033	2	122.6256	13.014	42	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]C)2	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|C<4>,4|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){4|C<3>}	129.3520	0.000	1	129.1100	0.158	4	129.1332	0.495	12	129.1189	0.456	13	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]C)2	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|C<4>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,3|C<3>}	129.0293	0.445	3	129.1100	0.158	4	129.1332	0.495	12	129.1189	0.456	13	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|F<1>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,3|C<3>}	128.6330	0.000	1	129.1447	0.710	8	129.1332	0.495	12	129.1189	0.456	13	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,3|C<3>}	129.2179	0.882	7	129.1447	0.710	8	129.1332	0.495	12	129.1189	0.456	13	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[5a]C[5a,6a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[5a]C[5a,6a]){5|C<3>}	128.9480	0.000	1	128.9480	0.000	1	128.9480	0.000	1	129.1189	0.456	13	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[5a]C[5a,6a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[5a]C[5a,6a]H){5|C<3>}	129.8085	0.449	2	129.8085	0.202	2	129.8085	0.202	2	130.7853	1.061	7	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[5a,5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,2|N<2>,4|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[5a,5a]N[5a]2){5|C<3>}	129.9830	0.000	1	129.9830	0.000	1	129.9830	0.000	1	130.7853	1.061	7	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a,5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(C[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(C[5a]N[5a]C){1|Ni<4>,4|C<3>}	131.6460	0.520	2	131.6460	0.271	2	131.6460	0.271	2	130.7853	1.061	7	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]H){1|C<4>,4|C<3>}	130.4880	0.000	1	130.4880	0.000	1	131.3025	1.327	2	130.7853	1.061	7	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]N[5a]C){1|H<1>,3|C<3>}	132.1170	0.000	1	132.1170	0.000	1	131.3025	1.327	2	130.7853	1.061	7	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|S<2>,4|C<3>}	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(N[5a]C[5a]){1|N<2>,1|S<2>,3|C<3>}	126.1490	0.000	1	127.0730	1.708	2	127.0730	1.708	2	125.9652	2.209	4	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|S<2>,4|C<3>}	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>,2|C<3>}	127.9970	0.000	1	127.0730	1.708	2	127.0730	1.708	2	125.9652	2.209	4	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,5a]C[6a])(S[5a]C[5a,6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,5a]C[6a])(S[5a]C[5a,6a]){1|S<2>,5|C<3>}	124.9320	0.000	1	124.9320	0.000	1	124.9320	0.000	1	125.9652	2.209	4	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a]){2|H<1>,4|C<3>}	124.7830	0.000	1	124.7830	0.000	1	124.7830	0.000	1	125.9652	2.209	4	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(B[5a]N[5a]I)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(B[5a]N[5a]I)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|I<1>,6|C<3>}	120.1005	1.628	2	120.1005	2.652	2	120.1005	2.652	2	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[5a,5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2	C[5a,5a](N[5a]B[5a]C[6a])2(C[5a,5a]N[5a]2)	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,5a](N[5a]B[5a]C[6a])2(C[5a,5a]N[5a]2){8|C<3>}	123.6893	1.307	6	123.6893	1.708	6	123.6893	1.708	6	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2){1|N<3>,2|S<2>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a]){1|S<2>,6|C<3>}	127.5411	1.295	11	127.5411	1.676	11	127.5411	1.676	11	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	128.9870	0.000	1	128.9870	0.000	1	127.0486	1.815	5	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	126.6835	0.094	2	126.6835	0.009	2	127.0486	1.815	5	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,2|S<2>,6|C<3>}	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	126.4445	1.580	2	126.4445	2.498	2	127.0486	1.815	5	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2){1|N<3>,2|S<2>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	123.5374	0.678	12	123.5374	0.460	12	124.8478	2.839	21	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,2|S<2>,4|C<3>}	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,3|C<3>}	126.4240	0.000	1	126.4240	0.000	1	124.8478	2.839	21	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2){2|S<2>,4|C<3>,4|H<1>}	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	126.6565	0.429	2	126.6162	0.517	8	124.8478	2.839	21	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2){2|S<2>,4|C<3>,4|H<1>}	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|S<2>,4|C<3>}	126.6028	0.828	6	126.6162	0.517	8	124.8478	2.839	21	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,5a]C[5a,6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,5|C<3>}	124.3160	0.000	1	124.3160	0.000	1	124.3160	0.000	1	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6a]){8|C<3>}	125.3290	0.000	1	125.3290	0.000	1	125.3290	0.000	1	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	125.7310	0.000	1	125.7310	0.000	1	125.7310	0.000	1	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2	C[5a,5a](N[5a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,5a](N[5a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C){6|C<3>}	129.5750	0.000	1	129.5750	0.000	1	129.5750	0.000	1	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	122.2820	0.000	1	122.2820	0.000	1	123.4170	2.576	2	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]N[5a]Pd)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]C)2	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]N[5a]Pd)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a]C[6a]){1|Pd<4>,1|C<4>,1|H<1>,5|C<3>}	124.5520	0.000	1	124.5520	0.000	1	123.4170	2.576	2	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	122.8990	0.372	4	122.8990	0.139	4	123.3049	0.602	29	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	123.3698	0.808	25	123.3698	0.654	25	123.3049	0.602	29	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<2>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[5a]C[5a,6a]C){1|C<2>,5|C<3>}	124.8300	0.000	1	124.8300	0.000	1	124.8300	0.000	1	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]Pd)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]C)2	C[5a,5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]Pd)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a]C[6a]){1|Pd<4>,1|H<1>,6|C<3>}	120.4990	0.000	1	120.4990	0.000	1	122.6930	3.619	3	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]Pd)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]C)2	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]Pd)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a]C[6a]){1|Pd<4>,1|H<1>,6|C<3>}	123.7900	0.132	2	123.7900	0.017	2	122.6930	3.619	3	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C[6a]){7|C<3>}	129.9125	1.225	2	129.9125	1.502	2	129.9125	1.502	2	124.6825	5.141	86	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,5a]	3:4:3:	3:3:3:	3:3:3:	C[5a,5a]-3:B[5a]-4:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[5a,5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a]Br)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2	C[5a,5a](N[5a]B[5a]C[6a])2(C[5a,5a]N[5a]2)	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a]Br)(C[6a]C[6a]2){1|B<4>,1|N<3>,2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2{1|Br<1>,2|H<1>,2|N<3>,3|C<3>}	C[5a,5a](N[5a]B[5a]C[6a])2(C[5a,5a]N[5a]2){2|Br<1>,8|C<3>}	120.1465	1.643	2	120.1465	2.698	2	120.1465	2.698	2	120.1465	2.698	2	125.5437	8.463	112	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:2:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HN)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HN){1|C<3>,1|N<2>,1|O<1>,4|C<4>}	129.6730	0.132	2	129.6730	0.017	2	129.6730	0.017	2	129.6730	0.017	2	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]){1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|C<3>}	129.4460	0.194	2	129.8287	0.458	3	129.8287	0.458	3	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	130.5940	0.000	1	129.8287	0.458	3	129.8287	0.458	3	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,3|C<4>,4|C<3>}	128.9540	0.000	1	128.9540	0.000	1	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){2|C<4>,5|C<3>}	131.5120	0.034	2	131.5120	0.001	2	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|N<2>,5|C<3>}	131.7395	1.012	2	131.2518	0.659	4	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|N<3>,5|C<3>}	130.7640	0.025	2	131.2518	0.659	4	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	131.2197	0.530	3	131.2197	0.281	3	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){2|H<1>,5|C<3>}	131.9220	0.000	1	131.1683	2.054	15	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	129.8570	0.000	1	131.1683	2.054	15	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	129.6650	0.000	1	131.1683	2.054	15	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	132.4780	0.000	1	131.1683	2.054	15	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	129.7363	2.185	3	131.1683	2.054	15	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	131.8829	0.731	7	131.1683	2.054	15	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|N<3>,2|C<4>,4|C<3>}	131.2130	0.000	1	131.1683	2.054	15	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	129.7170	0.000	1	129.7170	0.000	1	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|H<1>,3|C<3>,4|C<4>}	130.4250	0.000	1	130.2227	0.405	3	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	130.7330	0.000	1	130.2227	0.405	3	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	129.5100	0.000	1	130.2227	0.405	3	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	131.0680	0.000	1	131.2586	0.244	11	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,3|C<3>,4|C<4>}	131.3360	0.000	1	131.2586	0.244	11	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	131.2653	0.675	6	131.2586	0.244	11	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){3|C<3>,5|C<4>}	131.3190	0.000	1	131.2586	0.244	11	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	131.2650	0.332	2	131.2586	0.244	11	131.0600	1.131	40	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:S[6]-2:	N[5a](C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(S[6]C[6])	N[5a](C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(S[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	127.3070	0.000	1	127.3070	0.000	1	127.3070	0.000	1	130.8907	1.451	44	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5,6]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{2|F<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	129.3190	0.000	1	129.3190	0.000	1	130.3777	1.627	13	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]N[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]N[6]O){1|C<4>,2|H<1>,4|C<3>}	129.5730	0.000	1	129.5730	0.000	1	130.3777	1.627	13	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O){1|N<3>,1|O<1>,3|C<3>}	130.4893	1.378	10	130.4893	1.898	10	130.3777	1.627	13	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6,6a]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	131.1250	0.000	1	131.1250	0.000	1	130.3777	1.627	13	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H){2|C<3>,2|C<4>,4|H<1>}	130.1840	0.945	2	129.7125	0.821	4	130.2919	0.653	28	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H){2|C<3>,3|C<4>,3|H<1>}	129.2410	0.826	2	129.7125	0.821	4	130.2919	0.653	28	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6a]H){3|H<1>,4|C<3>}	130.3590	0.000	1	130.3590	0.000	1	130.2919	0.653	28	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	130.2884	0.528	7	130.4591	0.354	12	130.2919	0.653	28	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	130.6980	0.659	5	130.4591	0.354	12	130.2919	0.653	28	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	131.8250	0.000	1	130.4446	1.089	9	130.2919	0.653	28	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	130.2720	0.969	8	130.4446	1.089	9	130.2919	0.653	28	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,7|C<3>}	129.7270	0.160	2	129.7270	0.026	2	130.2919	0.653	28	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]N[6,6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]N[6,6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]C[6a]N[5a]){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	129.8365	1.028	4	129.8365	1.057	4	129.8365	1.057	4	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a]){1|H<1>,8|C<3>}	129.6990	0.000	1	129.6990	0.000	1	130.3392	0.439	6	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a]){1|S<2>,3|H<1>,5|C<3>}	130.5230	0.042	2	130.3787	0.063	3	130.3392	0.439	6	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a]){2|C<4>,3|H<1>,4|C<3>}	130.0900	0.000	1	130.3787	0.063	3	130.3392	0.439	6	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a]){1|S<2>,3|H<1>,4|C<3>}	129.7290	0.000	1	130.6000	1.517	2	130.3392	0.439	6	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|O<2>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a]){1|O<2>,3|H<1>,4|C<3>}	131.4710	0.000	1	130.6000	1.517	2	130.3392	0.439	6	130.2836	0.869	51	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	129.5930	0.000	1	129.5930	0.000	1	130.0853	1.316	6	130.0853	1.316	6	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,5|H<1>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	129.6455	0.262	2	129.6455	0.069	2	130.0853	1.316	6	130.0853	1.316	6	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,3|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	130.0160	0.000	1	130.5427	2.626	3	130.0853	1.316	6	130.0853	1.316	6	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,3|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){3|C<3>,3|H<1>}	132.3610	0.000	1	130.5427	2.626	3	130.0853	1.316	6	130.0853	1.316	6	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,4|H<1>}	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	129.2510	0.000	1	130.5427	2.626	3	130.0853	1.316	6	130.0853	1.316	6	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]O[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	125.0420	0.000	1	125.0420	0.000	1	125.0420	0.000	1	125.0420	0.000	1	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:2:2:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(N[6a]C[6a])2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]N[6a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[5a]C[5a,6]C[5a])(N[6a]C[6a])2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<1>,2|N<2>,3|H<1>}	127.2640	0.000	1	127.2640	0.000	1	127.2640	0.000	1	126.4450	0.505	4	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,2|N<2>,4|C<3>}	125.5390	0.000	1	125.5390	0.000	1	126.1720	0.311	3	126.4450	0.505	4	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[5a,6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[5a,6]CH){1|H<1>,2|N<2>,5|C<3>}	126.4885	0.145	2	126.4885	0.021	2	126.1720	0.311	3	126.4450	0.505	4	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H){1|C<2>,1|C<3>,1|N<2>,4|H<1>}	126.6410	0.000	1	126.8298	0.089	5	126.8298	0.089	5	126.8298	0.089	5	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H){1|N<2>,2|C<3>,4|H<1>}	126.8770	0.322	4	126.8298	0.089	5	126.8298	0.089	5	126.8298	0.089	5	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	128.8560	0.000	1	128.8560	0.000	1	128.8560	0.000	1	124.6885	34.736	2	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:S[6]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(S[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(S[6]C[6]){1|C<4>,1|H<1>,6|C<3>}	120.5210	0.000	1	120.5210	0.000	1	120.5210	0.000	1	124.6885	34.736	2	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,5a]C[5a,6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<2>,5|C<3>}	128.3900	0.000	1	128.3900	0.000	1	128.3900	0.000	1	127.0896	3.796	25	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]2)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6,6a]O)	N[5a](C[5a,6]C[5a,6]C[6])2(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,5|C<3>}	125.8075	0.479	2	125.8075	0.229	2	125.8075	0.229	2	127.0896	3.796	25	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	128.9637	1.302	3	128.9637	1.694	3	128.9637	1.694	3	127.0896	3.796	25	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	124.4840	0.000	1	124.4840	0.000	1	124.4840	0.000	1	127.0896	3.796	25	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,5|C<3>}	125.8620	0.000	1	125.8620	0.000	1	125.2758	1.744	5	127.0896	3.796	25	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]O[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]O[6]N){1|H<1>,5|C<3>}	125.8720	0.000	1	125.8720	0.000	1	125.2758	1.744	5	127.0896	3.796	25	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	125.8650	0.102	2	125.8650	0.010	2	125.2758	1.744	5	127.0896	3.796	25	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	122.9150	0.000	1	122.9150	0.000	1	125.2758	1.744	5	127.0896	3.796	25	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[5,6,6a]H)(C[6a]C[6a]N[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[5,6,6a]H)(C[6a]C[6a]N[5a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt){3|C<3>,4|H<1>}	129.0825	0.086	2	129.0825	0.007	2	127.4431	3.421	11	127.0896	3.796	25	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt){3|C<3>,4|H<1>}	125.5685	0.330	2	125.5685	0.109	2	127.4431	3.421	11	127.0896	3.796	25	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt){3|C<3>,4|H<1>}	128.4475	0.151	2	126.8358	4.491	4	127.4431	3.421	11	127.0896	3.796	25	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<5>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt){3|C<3>,4|H<1>}	125.2240	1.749	2	126.8358	4.491	4	127.4431	3.421	11	127.0896	3.796	25	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Rh)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Rh<5>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Rh){3|C<3>,4|H<1>}	127.7065	0.988	2	127.7065	0.976	2	127.4431	3.421	11	127.0896	3.796	25	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	129.8160	0.000	1	129.8160	0.000	1	127.4431	3.421	11	127.0896	3.796	25	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	128.8035	0.545	2	128.8035	0.297	2	128.8035	0.297	2	127.0896	3.796	25	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]2)(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])2(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	124.4765	0.931	2	124.4765	0.867	2	124.4765	0.867	2	124.4592	2.106	21	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<2>,3|C<4>,4|C<3>}	123.7340	0.000	1	123.7340	0.000	1	123.7340	0.000	1	124.4592	2.106	21	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	125.4020	0.000	1	125.4020	0.000	1	124.4976	2.394	18	124.4592	2.106	21	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	123.6365	1.890	2	123.9873	1.778	12	124.4976	2.394	18	124.4592	2.106	21	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	124.2309	1.521	7	123.9873	1.778	12	124.4976	2.394	18	124.4592	2.106	21	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	124.4830	0.000	1	123.9873	1.778	12	124.4976	2.394	18	124.4592	2.106	21	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	123.0360	0.000	1	123.9873	1.778	12	124.4976	2.394	18	124.4592	2.106	21	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	123.4400	0.000	1	123.9873	1.778	12	124.4976	2.394	18	124.4592	2.106	21	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HN)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HN){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	123.1660	0.000	1	123.1660	0.000	1	124.4976	2.394	18	124.4592	2.106	21	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	125.5620	0.081	2	125.5620	0.006	2	124.4976	2.394	18	124.4592	2.106	21	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	128.0060	0.000	1	126.7085	3.367	2	124.4976	2.394	18	124.4592	2.106	21	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,6|H<1>}	125.4110	0.000	1	126.7085	3.367	2	124.4976	2.394	18	124.4592	2.106	21	128.8742	7.224	161	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	130.2253	0.512	3	130.1923	0.179	4	129.8925	0.551	6	129.8925	0.551	6	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	130.0930	0.000	1	130.1923	0.179	4	129.8925	0.551	6	129.8925	0.551	6	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(N[6a]C[6a,6a]){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	128.5390	0.000	1	128.5390	0.000	1	129.8925	0.551	6	129.8925	0.551	6	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	130.0470	0.000	1	130.0470	0.000	1	129.8925	0.551	6	129.8925	0.551	6	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	129.8790	0.000	1	130.3605	0.464	2	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|O<2>,2|C<4>,3|C<3>}	130.8420	0.000	1	130.3605	0.464	2	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){2|C<4>,4|C<3>}	131.9990	0.000	1	131.9990	0.000	1	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a]){1|C<4>,5|C<3>}	130.1496	0.817	5	130.0468	0.597	6	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a]){2|C<4>,4|C<3>}	129.5330	0.000	1	130.0468	0.597	6	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	129.9710	0.000	1	130.2520	1.177	11	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,4|C<3>}	131.2360	0.000	1	130.2520	1.177	11	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,4|C<3>}	130.1739	1.155	9	130.2520	1.177	11	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	130.5890	0.000	1	130.4732	0.923	29	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,5|C<3>}	130.2935	1.196	11	130.4732	0.923	29	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|H<1>,2|C<4>,3|C<3>}	130.5703	0.787	7	130.4732	0.923	29	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|O<2>,2|C<4>,3|C<3>}	131.8285	0.145	2	130.4732	0.923	29	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){2|C<4>,4|C<3>}	130.2820	0.696	8	130.4732	0.923	29	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,4|C<3>}	129.5610	0.000	1	130.1486	0.411	11	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|C<4>,5|C<3>}	129.4900	0.163	2	130.1486	0.411	11	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	129.5710	0.000	1	130.1486	0.411	11	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){6|C<3>}	130.3560	0.000	1	130.1486	0.411	11	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){2|H<1>,4|C<3>}	130.5278	0.570	6	130.1486	0.411	11	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	130.8700	0.000	1	130.5195	1.049	34	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	131.4050	0.000	1	130.5195	1.049	34	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	130.1952	1.061	5	130.5195	1.049	34	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<3>,4|C<3>}	128.5240	2.294	2	130.5195	1.049	34	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	130.9800	0.000	1	130.5195	1.049	34	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	130.0442	0.820	5	130.5195	1.049	34	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|C<4>,4|C<3>}	130.5537	0.743	7	130.5195	1.049	34	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){2|C<4>,4|C<3>}	131.1743	0.718	3	130.5195	1.049	34	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,3|C<4>}	131.4675	0.322	2	130.5195	1.049	34	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	131.6710	0.000	1	130.5195	1.049	34	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|O<1>,1|S<2>,2|C<3>,2|N<3>}	129.7400	0.000	1	130.5195	1.049	34	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	130.9350	0.000	1	130.5195	1.049	34	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	130.7090	0.000	1	130.5195	1.049	34	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	131.7910	0.000	1	130.5195	1.049	34	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	130.4915	0.344	2	130.5195	1.049	34	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>}	130.2170	0.017	2	130.2170	0.000	2	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	130.3210	0.000	1	131.1325	1.317	2	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){2|C<4>,4|C<3>}	131.9440	0.000	1	131.1325	1.317	2	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	130.5210	0.263	2	130.5642	0.632	5	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	130.0185	0.688	2	130.5642	0.632	5	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	131.7420	0.000	1	130.5642	0.632	5	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|O<1>,2|C<3>,2|N<3>}	129.3160	0.000	1	129.3160	0.000	1	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	131.5905	0.203	2	131.3023	0.270	3	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|O<1>,2|C<3>,2|N<3>}	130.7260	0.000	1	131.3023	0.270	3	130.4443	0.884	107	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<4>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	129.8860	0.000	1	129.8860	0.000	1	131.3300	0.635	6	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a,6a]){1|C<4>,1|O<1>,4|C<3>}	131.5300	0.000	1	131.5300	0.000	1	131.3300	0.635	6	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	131.6410	0.469	4	131.6410	0.220	4	131.3300	0.635	6	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|O<1>,4|C<3>}	127.3720	0.000	1	127.3720	0.000	1	127.3720	0.000	1	130.4639	0.982	114	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:As[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(As[5a]N[5a])	C[6a](N[5a]C[5a,6a]As[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]As[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(As[5a]N[5a]){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]As[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]As[5a]C[6a]){1|H<1>,1|S<2>,6|C<3>}	124.9440	0.362	2	124.9440	0.131	2	124.9440	0.131	2	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	128.6540	0.000	1	128.6540	0.000	1	128.6540	0.000	1	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a]){3|H<1>,5|C<3>}	129.8510	0.000	1	129.8510	0.000	1	129.8510	0.000	1	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|N<2>,2|C<4>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F){1|N<2>,2|F<1>,3|C<3>}	129.1150	0.000	1	129.1150	0.000	1	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	129.4920	0.233	2	129.4920	0.054	2	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	130.2810	0.000	1	130.2810	0.000	1	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F){1|N<2>,2|F<1>,3|C<3>}	129.6645	0.633	2	129.6645	0.401	2	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	129.9830	0.000	1	129.9830	0.000	1	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]N){1|C<2>,3|C<3>}	131.1020	0.000	1	131.1020	0.000	1	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]O){1|C<2>,4|C<3>}	130.1830	0.000	1	130.1830	0.000	1	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	127.6340	0.000	1	127.6340	0.000	1	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|I<1>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	130.2245	0.647	2	129.2672	1.361	4	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|I<1>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	128.3100	0.018	2	129.2672	1.361	4	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|I<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]I){2|H<1>,3|C<3>}	132.0970	0.000	1	132.0970	0.000	1	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	130.4210	0.000	1	130.4210	0.000	1	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	130.6460	0.000	1	130.6646	1.216	8	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|I<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	130.3055	2.231	2	130.6646	1.216	8	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	132.2360	0.000	1	130.6646	1.216	8	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	130.7020	0.621	2	130.6646	1.216	8	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	130.2100	0.064	2	130.6646	1.216	8	130.0631	1.376	24	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>}	130.9700	0.000	1	130.8775	0.017	2	131.3773	0.758	3	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	130.7850	0.000	1	130.8775	0.017	2	131.3773	0.758	3	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<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>}	132.3770	0.000	1	132.3770	0.000	1	131.3773	0.758	3	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	129.1040	0.000	1	129.1040	0.000	1	130.5517	1.044	6	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	130.0740	0.000	1	130.0740	0.000	1	130.5517	1.044	6	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a]){1|N<2>,2|H<1>,4|C<3>}	131.3370	0.000	1	131.3370	0.000	1	130.5517	1.044	6	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	131.7990	0.000	1	130.9317	0.924	3	130.5517	1.044	6	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	130.4980	0.849	2	130.9317	0.924	3	130.5517	1.044	6	129.9284	2.748	37	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	125.5820	0.000	1	125.2883	0.301	4	125.2883	0.301	4	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	124.8830	0.470	2	125.2883	0.301	4	125.2883	0.301	4	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	125.8050	0.000	1	125.2883	0.301	4	125.2883	0.301	4	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){1|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|N<2>,5|C<3>}	127.8560	0.000	1	126.4385	4.019	2	125.7785	0.938	76	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){1|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	125.0210	0.000	1	126.4385	4.019	2	125.7785	0.938	76	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){1|H<1>,1|S<2>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	120.7950	0.000	1	125.7697	0.902	73	125.7785	0.938	76	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){1|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	122.7540	0.632	2	125.7697	0.902	73	125.7785	0.938	76	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	125.8907	0.219	4	125.7697	0.902	73	125.7785	0.938	76	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	125.6489	0.710	8	125.7697	0.902	73	125.7785	0.938	76	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	125.9952	0.466	32	125.7697	0.902	73	125.7785	0.938	76	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|P<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	125.9555	0.360	4	125.7697	0.902	73	125.7785	0.938	76	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|N<2>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	125.9229	0.549	7	125.7697	0.902	73	125.7785	0.938	76	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{2|Cl<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	126.0120	0.419	2	125.7697	0.902	73	125.7785	0.938	76	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	126.9480	0.000	1	125.7697	0.902	73	125.7785	0.938	76	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	125.4926	0.614	5	125.7697	0.902	73	125.7785	0.938	76	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|N<2>,5|C<3>}	126.1255	0.220	2	125.7697	0.902	73	125.7785	0.938	76	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	126.0634	0.812	5	125.7697	0.902	73	125.7785	0.938	76	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){1|H<1>,1|S<2>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,2|N<2>,3|C<3>}	125.1030	0.000	1	125.1030	0.000	1	125.7785	0.938	76	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	126.3770	0.000	1	125.9820	0.312	2	126.0005	1.954	24	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2){1|S<2>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	125.5870	0.000	1	125.9820	0.312	2	126.0005	1.954	24	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	125.4140	0.000	1	125.5331	1.072	14	126.0005	1.954	24	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	123.5620	0.000	1	125.5331	1.072	14	126.0005	1.954	24	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	125.6390	0.614	3	125.5331	1.072	14	126.0005	1.954	24	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>,2|N<2>}	126.6160	0.000	1	125.5331	1.072	14	126.0005	1.954	24	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	123.7570	0.000	1	125.5331	1.072	14	126.0005	1.954	24	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	125.8854	0.822	7	125.5331	1.072	14	126.0005	1.954	24	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	128.9055	0.091	2	128.9055	0.008	2	126.0005	1.954	24	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]N[6a])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2){2|C<3>,2|H<1>,2|N<2>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]N[6a])2{1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|N<2>,4|H<1>}	128.1880	0.000	1	128.1880	0.000	1	126.0005	1.954	24	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2){1|H<1>,1|I<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,1|I<1>,1|N<3>,2|N<2>}	123.6810	0.000	1	125.4423	2.445	3	126.0005	1.954	24	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	126.3230	0.486	2	125.4423	2.445	3	126.0005	1.954	24	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|N<2>,3|H<1>}	126.3540	0.000	1	126.3540	0.000	1	126.0005	1.954	24	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])(N[6a]N[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]N[6a]2){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])(N[6a]N[6a]){1|N<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	125.9040	0.000	1	125.9040	0.000	1	126.0005	1.954	24	125.8109	1.148	104	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	129.4668	0.432	5	129.3750	0.200	6	129.3750	0.200	6	129.3750	0.200	6	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	128.9160	0.000	1	129.3750	0.200	6	129.3750	0.200	6	129.3750	0.200	6	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]N[6a]){2|N<3>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<2>,2|C<3>,3|H<1>}	123.5463	0.236	4	123.5463	0.056	4	123.5463	0.056	4	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	125.3325	0.447	4	125.8678	1.583	5	125.4099	2.078	10	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	128.0090	0.000	1	125.8678	1.583	5	125.4099	2.078	10	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	122.4940	0.000	1	124.3953	3.785	3	125.4099	2.078	10	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	126.3820	0.000	1	124.3953	3.785	3	125.4099	2.078	10	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	124.3100	0.000	1	124.3953	3.785	3	125.4099	2.078	10	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	125.7870	0.619	2	125.7870	0.384	2	125.4099	2.078	10	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|O<2>,2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	124.1890	0.000	1	124.4600	0.204	4	123.8676	1.008	10	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	125.1360	0.000	1	124.4600	0.204	4	123.8676	1.008	10	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	124.2575	0.021	2	124.4600	0.204	4	123.8676	1.008	10	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	124.2870	0.000	1	124.2870	0.000	1	123.8676	1.008	10	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,1|O<2>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	123.3098	1.154	5	123.3098	1.332	5	123.8676	1.008	10	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	127.3500	0.457	2	127.3500	0.209	2	127.3500	0.209	2	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	128.3320	0.033	2	128.3320	0.001	2	128.3320	0.001	2	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	122.8450	0.000	1	122.8450	0.000	1	122.8450	0.000	1	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a]){9|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	124.3930	0.000	1	124.3930	0.000	1	124.3930	0.000	1	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	125.7910	0.000	1	125.9100	0.989	6	125.9377	2.296	12	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	127.6990	0.000	1	125.9100	0.989	6	125.9377	2.296	12	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	125.4925	0.587	4	125.9100	0.989	6	125.9377	2.296	12	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C[5])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	125.8230	0.000	1	125.8230	0.000	1	125.9377	2.296	12	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	124.1430	0.000	1	124.1430	0.000	1	125.9377	2.296	12	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	128.4260	0.000	1	128.4040	0.001	2	125.9377	2.296	12	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	128.3820	0.000	1	128.4040	0.001	2	125.9377	2.296	12	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]N)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]N){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	125.1490	0.000	1	125.1490	0.000	1	125.9377	2.296	12	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	123.8690	0.000	1	123.8690	0.000	1	125.9377	2.296	12	125.1622	3.026	42	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	126.5710	0.000	1	126.5710	0.000	1	126.7550	1.131	7	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	125.2960	0.000	1	125.2960	0.000	1	126.7550	1.131	7	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[5a,6a]){1|N<2>,5|C<3>}	126.3080	0.000	1	126.3080	0.000	1	126.7550	1.131	7	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a,6a]){6|C<3>}	127.2775	1.054	4	127.2775	1.111	4	126.7550	1.131	7	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<4>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|C<4>}	124.2110	0.000	1	124.2110	0.000	1	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){3|H<1>,4|C<3>}	123.8055	0.107	2	123.8055	0.011	2	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){3|C<3>,4|H<1>}	125.9110	0.000	1	125.9110	0.000	1	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){3|H<1>,4|C<3>}	124.6180	0.000	1	124.6180	0.000	1	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){3|C<3>,4|H<1>}	125.8830	0.000	1	125.8830	0.000	1	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	127.2335	0.473	2	127.8414	0.373	5	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	128.2467	0.137	3	127.8414	0.373	5	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[5,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[5,6a]){1|C<4>,1|H<1>,5|C<3>}	129.3920	0.000	1	129.3920	0.000	1	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	127.2490	1.086	2	127.2490	1.180	2	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	125.9840	0.000	1	124.3157	2.212	3	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	123.4815	0.500	2	124.3157	2.212	3	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	127.6680	0.000	1	128.8120	0.939	6	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	130.2580	0.000	1	128.8120	0.939	6	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	128.2810	0.000	1	128.8120	0.939	6	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	128.0770	0.000	1	128.8120	0.939	6	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	129.3530	0.000	1	128.8120	0.939	6	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	129.2350	0.000	1	128.8120	0.939	6	126.8326	4.462	23	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[5a,6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[5a,6a]){1|O<1>,2|N<3>,3|C<3>}	123.9300	0.000	1	123.9300	0.000	1	123.9300	0.000	1	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a,6a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a,6a]C[5a]){2|N<2>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	128.2740	0.000	1	128.2740	0.000	1	128.2740	0.000	1	126.7700	3.721	32	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,4|B<6>,5|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|C<5>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|C<5>,1|H<1>,4|C<3>}	118.0202	1.286	6	117.2432	2.029	12	117.5108	2.272	14	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,4|B<6>,5|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|C<5>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<5>,2|H<1>,4|C<3>}	116.4662	1.166	6	117.2432	2.029	12	117.5108	2.272	14	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<6>,3|H<1>,4|B<6>,5|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|C<6>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|C<6>,1|H<1>,4|C<3>}	119.1165	1.094	2	119.1165	1.197	2	117.5108	2.272	14	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|Si<4>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	121.9640	0.000	2	123.1553	4.258	3	123.1553	4.258	3	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	125.5380	0.000	1	123.1553	4.258	3	123.1553	4.258	3	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|H<1>,1|N<3>,7|C<3>}	127.2380	0.000	1	127.2380	0.000	1	127.2380	0.000	1	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	124.4900	0.000	1	124.4900	0.000	1	126.1467	2.104	3	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	126.7610	0.000	1	126.7610	0.000	1	126.1467	2.104	3	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	127.1890	0.000	1	127.1890	0.000	1	126.1467	2.104	3	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.0003	0.985	3	122.0003	0.970	3	122.0003	0.970	3	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,8|C<3>}	126.7553	0.731	3	126.7553	0.535	3	126.9333	0.483	4	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]O[5a])(C[6a]C[6a]2){2|C<4>,7|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,7|C<3>}	127.4670	0.000	1	127.4670	0.000	1	126.9333	0.483	4	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|F<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.1432	1.209	4	122.1432	1.462	4	122.1423	3.090	41	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.6820	0.344	2	120.0687	0.508	3	122.1423	3.090	41	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.8420	0.000	1	120.0687	0.508	3	122.1423	3.090	41	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2{1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.6065	0.231	4	123.8075	0.144	6	122.1423	3.090	41	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.2095	0.275	2	123.8075	0.144	6	122.1423	3.090	41	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	122.0646	1.375	8	122.0646	1.891	8	122.1423	3.090	41	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C){1|Br<1>,1|C<4>,1|N<3>,4|C<3>}	123.8865	0.623	2	123.8865	0.388	2	122.1423	3.090	41	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	123.3770	0.000	1	123.3770	0.000	1	122.1423	3.090	41	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	118.7315	0.156	2	118.7315	0.024	2	122.1423	3.090	41	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.8940	0.244	4	123.8940	0.059	4	122.1423	3.090	41	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|Ir<5>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Ir<5>,1|C<4>,2|H<1>,3|C<3>}	118.8955	0.989	2	118.8955	0.979	2	122.1423	3.090	41	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Li)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Li)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|Li<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Li<3>,2|H<1>,4|C<3>}	121.3370	1.219	4	121.3370	1.486	4	122.1423	3.090	41	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]O)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	122.5658	0.603	4	122.5658	0.363	4	122.1423	3.090	41	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	122.1030	0.000	1	122.1030	0.000	1	122.1423	3.090	41	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	122.5260	1.438	2	122.5260	2.069	2	122.5260	2.069	2	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	123.3540	0.578	2	123.3540	0.335	2	125.8180	18.381	3	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	130.7460	0.000	1	130.7460	0.000	1	125.8180	18.381	3	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.2524	0.727	12	125.2152	0.447	16	125.2152	0.447	16	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.3165	0.631	2	125.2152	0.447	16	125.2152	0.447	16	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.8910	0.502	2	125.2152	0.447	16	125.2152	0.447	16	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6,6a]C[6a]){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.9455	0.559	2	124.9455	0.313	2	124.9455	0.313	2	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.1745	0.306	2	125.1745	0.094	2	125.0780	1.460	10	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.3920	1.828	4	125.3920	3.342	4	125.0780	1.460	10	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.7157	0.834	4	124.7157	0.695	4	125.0780	1.460	10	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)2(N[5a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)2(N[5a]C[5a,6a]2){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.7195	0.431	2	125.7195	0.185	2	125.4367	1.508	12	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2){1|H<1>,1|N<2>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.5265	1.743	4	125.5265	3.039	4	125.4367	1.508	12	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a,6a]2){2|C<2>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.2825	1.179	6	125.2825	1.389	6	125.4367	1.508	12	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.7618	0.645	6	125.5786	2.890	30	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.5328	1.882	24	125.5786	2.890	30	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.3040	1.608	4	125.1329	1.331	16	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.5456	0.963	8	125.1329	1.331	16	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,3|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.1365	0.730	4	125.1329	1.331	16	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a]C[6,6,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.6955	0.616	4	125.6955	0.380	4	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	122.9780	3.153	4	123.4975	5.151	8	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	123.2325	1.019	2	123.4975	5.151	8	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	124.8015	0.763	2	123.4975	5.151	8	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.9895	1.858	2	125.9895	3.451	2	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]O[6a]O){6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.7015	1.358	2	125.7015	1.845	2	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.6760	1.496	2	125.6760	2.239	2	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.5277	1.147	24	125.5277	1.316	24	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]2){2|H<1>,2|N<2>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.3495	0.183	2	124.3495	0.034	2	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<3>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.3432	0.678	4	125.4795	1.471	20	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){2|N<3>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.5196	1.374	14	125.4795	1.471	20	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){2|N<3>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.4715	1.394	2	125.4795	1.471	20	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.5122	0.477	8	125.4481	0.532	26	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.6890	1.352	2	125.4481	0.532	26	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.3560	0.857	14	125.4481	0.532	26	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.5950	0.028	2	125.4481	0.532	26	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.9150	1.541	2	125.9150	2.376	2	125.3581	1.883	138	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H){7|C<3>}	123.8280	0.000	1	123.8280	0.000	1	125.6273	3.170	4	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){7|C<3>}	127.4800	0.000	1	127.4800	0.000	1	125.6273	3.170	4	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]O)2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){7|C<3>}	125.6005	1.685	2	125.6005	2.839	2	125.6273	3.170	4	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	127.9095	0.863	2	127.9095	0.745	2	127.9095	0.745	2	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	122.6230	0.000	1	122.6230	0.000	1	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	121.6690	0.000	1	121.6690	0.000	1	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	124.9010	0.000	1	124.3730	0.774	6	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	124.1917	1.068	4	124.3730	0.774	6	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	124.5700	0.000	1	124.3730	0.774	6	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	125.1030	0.000	1	125.1030	0.000	1	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.7380	0.399	2	125.2157	0.732	12	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.9202	0.898	8	125.2157	0.732	12	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.8750	0.371	2	125.2157	0.732	12	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.6365	0.081	2	125.6617	0.287	18	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.6365	0.456	2	125.6617	0.287	18	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.7308	0.722	8	125.6617	0.287	18	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.5863	0.435	6	125.6617	0.287	18	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.1425	2.684	4	125.3389	2.240	16	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.4043	1.035	12	125.3389	2.240	16	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.5265	0.347	2	125.5265	0.121	2	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.5985	1.015	2	125.3158	1.221	33	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.3358	0.231	4	125.3158	1.221	33	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.2505	1.215	20	125.3158	1.221	33	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.6190	2.350	2	125.3158	1.221	33	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.3266	0.986	5	125.3158	1.221	33	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2{2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.4725	1.677	2	125.1477	1.098	6	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<2>,2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2{2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.4852	0.661	4	125.1477	1.098	6	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.4640	0.533	2	125.4640	0.284	2	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	126.0120	0.000	1	126.0120	0.000	1	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|B<3>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.7120	0.574	2	125.6117	1.293	7	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.7190	1.901	3	125.6117	1.293	7	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|B<3>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.3505	0.118	2	125.6117	1.293	7	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.9643	2.146	6	124.9643	4.607	6	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	125.5630	0.000	1	125.5630	0.000	1	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	126.0490	0.000	1	126.2527	0.655	4	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	126.5605	1.251	2	126.2527	0.655	4	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	125.8410	0.000	1	126.2527	0.655	4	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	125.2410	0.000	1	125.2410	0.000	1	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	125.7278	0.711	5	125.7278	0.505	5	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,5|C<3>}	126.0010	0.000	1	126.0010	0.000	1	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|B<3>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.6185	0.947	2	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.0120	0.226	2	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.7495	1.252	4	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.5440	0.707	4	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.3800	1.158	2	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.6958	0.547	8	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.6569	0.849	14	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.7455	0.438	2	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.6727	0.523	20	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|I<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.6549	0.465	8	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|Ir<6>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.7081	0.538	10	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.5686	1.242	26	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|Br<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.6715	2.064	2	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	125.9910	0.000	1	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	126.2400	0.000	1	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	125.4400	0.598	2	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,5|C<3>}	126.2300	0.000	1	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.5670	0.835	407	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.2600	0.455	2	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.7985	1.122	2	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.6463	0.435	8	125.5829	0.686	528	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]N[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|N<2>,4|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6a]2)(C[6a]N[6a]H)2{5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.7195	0.200	2	125.7195	0.040	2	125.5330	0.818	654	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](N[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](N[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	125.7690	1.475	2	125.7690	2.176	2	125.7690	2.176	2	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:N[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a,6a](B[6a]N[5a,6a]C[6a])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a]){9|C<3>}	124.5160	0.000	1	124.5160	0.000	1	124.5160	0.000	1	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	129.1580	0.921	2	129.1580	0.848	2	129.1580	0.848	2	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	127.5528	1.573	4	127.5528	2.476	4	127.3768	2.120	74	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	127.7555	0.210	2	127.7555	0.044	2	127.3768	2.120	74	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	127.1820	0.000	1	127.3438	2.216	67	127.3768	2.120	74	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	127.6737	0.876	6	127.3438	2.216	67	127.3768	2.120	74	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	127.3136	1.550	60	127.3438	2.216	67	127.3768	2.120	74	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	128.1220	0.000	1	128.1220	0.000	1	127.3768	2.120	74	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]C[6a]){2|H<1>,6|C<3>}	126.1000	0.000	1	126.1000	0.000	1	126.1000	0.000	1	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:Ge[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]Ge[6a]N[5a])(Ge[6a]C[5a,6a]S)(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Ge<3>,1|S<2>,2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]Ge[6a]N[5a])(Ge[6a]C[5a,6a]S)(N[5a]C[5a]C[6a]){1|N<3>,1|S<2>,5|C<3>}	124.9340	0.928	4	124.9340	0.861	4	123.7785	2.458	8	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:Ge[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]Ge[6a]N[5a])(Ge[6a]C[5a,6a]Te)(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Ge<3>,1|Te<3>,2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]Ge[6a]N[5a])(Ge[6a]C[5a,6a]Te)(N[5a]C[5a]C[6a]){1|Te<3>,1|N<3>,5|C<3>}	122.6230	1.146	4	122.6230	1.313	4	123.7785	2.458	8	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<2>,1|O<2>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|F<1>,1|H<1>,4|C<3>}	123.2550	0.000	1	123.2550	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	124.7210	0.000	1	124.7210	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|F<1>,1|H<1>,3|C<3>}	123.8400	0.000	1	123.8400	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	127.1570	0.000	1	125.9970	2.691	2	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<2>,2|H<1>,3|C<3>}	124.8370	0.000	1	125.9970	2.691	2	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	124.7400	0.000	1	124.5313	0.617	7	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	124.1913	0.655	3	124.5313	0.617	7	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,3|C<3>}	125.8670	0.000	1	124.5313	0.617	7	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	124.2690	0.731	2	124.5313	0.617	7	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.5030	0.000	1	126.5030	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	125.0730	0.000	1	125.0730	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.2250	0.000	1	124.6270	0.715	2	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	124.0290	0.000	1	124.6270	0.715	2	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.3740	0.000	1	123.3740	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	125.1120	0.000	1	125.6760	0.297	3	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	125.9580	0.341	2	125.6760	0.297	3	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	122.9720	0.000	1	125.0780	1.647	5	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	125.1110	0.000	1	125.0780	1.647	5	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	126.0145	0.598	2	125.0780	1.647	5	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.2780	0.000	1	125.0780	1.647	5	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.7495	0.869	2	123.7495	0.755	2	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	125.9505	0.425	2	126.2080	0.289	3	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	126.7230	0.000	1	126.2080	0.289	3	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]C[6]){3|C<3>,3|H<1>,4|C<4>}	133.1630	0.000	2	133.1630	0.000	2	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	126.2060	0.000	1	126.2060	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	126.7020	0.000	1	127.2455	1.104	4	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|H<1>,2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	126.0550	0.000	1	127.2455	1.104	4	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	128.1125	0.309	2	127.2455	1.104	4	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]N[6a]O){1|C<2>,1|H<1>,4|C<3>}	127.6275	0.905	4	127.6275	0.818	4	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|I<1>,3|C<3>,3|H<1>}	124.9220	0.000	1	124.9220	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	125.9445	0.542	2	125.9445	0.294	2	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	124.6580	0.000	1	124.6580	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	122.6400	0.000	1	122.6400	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>}	122.2940	0.000	1	122.2940	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	125.1560	2.143	2	124.0829	1.980	47	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	124.0510	0.000	1	124.0829	1.980	47	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	124.2555	0.148	2	124.0829	1.980	47	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	124.0244	1.431	42	124.0829	1.980	47	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|N<3>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)2{1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	124.2520	0.000	1	124.2520	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|F<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2{1|C<4>,1|N<2>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	125.3410	0.000	1	125.3410	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	125.5280	0.000	1	125.5280	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.4440	0.000	1	126.4440	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	126.0630	0.000	1	126.0630	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	127.5280	0.000	1	127.5280	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	127.5290	0.000	1	127.5290	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|F<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2{1|H<1>,1|N<2>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	127.7030	0.000	1	127.7030	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	127.9980	0.000	2	127.9980	0.000	2	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	126.9570	0.566	3	127.6928	0.960	13	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	127.9447	0.734	4	127.6928	0.960	13	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	129.8240	0.000	1	127.6928	0.960	13	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	127.5064	0.817	5	127.6928	0.960	13	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	127.3605	1.238	2	127.3605	1.533	2	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	128.3510	0.000	1	128.3510	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	125.3860	0.000	1	125.3860	0.000	1	125.4004	4.370	121	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<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>}	128.9775	0.187	2	128.9775	0.035	2	128.9775	0.035	2	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	128.3200	0.000	1	126.7923	1.776	3	127.9343	3.138	6	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	126.0285	0.228	2	126.7923	1.776	3	127.9343	3.138	6	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	129.5580	0.000	1	129.0763	2.155	3	127.9343	3.138	6	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	128.8355	1.991	2	129.0763	2.155	3	127.9343	3.138	6	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	127.5110	0.000	1	127.5110	0.000	1	127.3100	0.260	3	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	127.2095	0.678	2	127.2095	0.460	2	127.3100	0.260	3	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	124.0130	0.000	1	123.5925	0.354	2	123.6617	0.191	3	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|O<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.1720	0.000	1	123.5925	0.354	2	123.6617	0.191	3	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	123.8000	0.000	1	123.8000	0.000	1	123.6617	0.191	3	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a,6a]C[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a,6a]C[5a]){1|N<2>,3|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	126.0680	0.146	2	126.0680	0.021	2	126.0680	0.021	2	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	126.3030	0.000	2	126.3030	0.000	2	126.2818	0.020	4	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	126.2605	0.241	2	126.2605	0.058	2	126.2818	0.020	4	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[5a]C[5a]H){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	128.2160	0.000	1	128.2160	0.000	1	128.2160	0.000	1	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	119.4520	0.000	1	119.4520	0.000	1	119.4520	0.000	1	125.3924	3.195	1143	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	4:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|Cl<1>,1|B<4>,2|C<4>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a]){1|F<1>,2|N<3>,7|C<3>}	125.0020	1.543	2	125.0020	2.381	2	125.6290	2.370	3	125.6290	2.370	3	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	4:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:N[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|N<3>,2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a]Cl)(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a]){1|Cl<1>,9|C<3>}	126.8830	0.000	1	126.8830	0.000	1	125.6290	2.370	3	125.6290	2.370	3	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:4:3:	3:3:3:	3:3:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2){2|C<4>,9|C<3>}	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,8|C<3>}	122.3830	0.000	1	122.3830	0.000	1	122.3830	0.000	1	122.3830	0.000	1	125.9787	5.188	1488	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:N[6a]-3:N[6a]-2:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]N[6a]2)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CCHH)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]N[6a]2){1|H<1>,2|C<3>,2|C<4>}	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[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CCHH){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	130.0630	0.000	1	130.0630	0.000	1	130.0630	0.000	1	130.0630	0.000	1	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:Cl-1:	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(Cl)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(Cl){1|H<1>,1|N<2>,3|C<3>}	126.8660	0.000	1	126.8660	0.000	1	126.8660	0.000	1	126.4901	1.926	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	126.6942	0.467	4	126.6942	0.218	4	126.8020	0.238	8	126.4901	1.926	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	126.7150	0.480	3	126.9098	0.305	4	126.8020	0.238	8	126.4901	1.926	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|O<1>,1|O<2>,3|C<3>}	127.4940	0.000	1	126.9098	0.305	4	126.8020	0.238	8	126.4901	1.926	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,4|C<3>}	128.3575	0.305	2	128.3575	0.093	2	128.3575	0.093	2	126.4901	1.926	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a]-3:S[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]S[5a])(O)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]S[5a])(O){1|H<1>,4|C<3>}	124.2880	0.646	3	124.2880	0.417	3	124.2880	0.417	3	126.4901	1.926	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NC)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NC){1|H<1>,4|C<3>}	129.3620	0.000	1	129.3620	0.000	1	129.3620	0.000	1	129.1365	0.102	2	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:Se-2:	N[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(SeC[6a])	N[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Se<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(SeC[6a]){1|H<1>,4|C<3>}	128.9110	0.000	1	128.9110	0.000	1	128.9110	0.000	1	129.1365	0.102	2	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	130.1150	0.000	1	130.1150	0.000	1	130.1150	0.000	1	129.1372	2.052	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]C)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]C){1|H<1>,4|C<3>}	127.9340	0.000	1	127.9340	0.000	1	128.4724	0.171	5	129.1372	2.052	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]O)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,4|C<3>}	128.8630	0.000	1	128.8630	0.000	1	128.4724	0.171	5	129.1372	2.052	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CNN)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CNN){1|H<1>,4|C<3>}	128.7030	0.194	2	128.7030	0.038	2	128.4724	0.171	5	129.1372	2.052	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(COO)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(COO){1|H<1>,4|C<3>}	128.1590	0.000	1	128.1590	0.000	1	128.4724	0.171	5	129.1372	2.052	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	128.9465	0.699	2	128.9647	0.246	3	128.9647	0.246	3	129.1372	2.052	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	129.0010	0.000	1	128.9647	0.246	3	128.9647	0.246	3	129.1372	2.052	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NHH)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NHH){1|N<3>,1|O<1>,3|C<3>}	128.7005	1.949	2	128.7005	3.801	2	130.0917	7.706	3	129.1372	2.052	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NOO)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NOO){1|H<1>,4|C<3>}	132.8740	0.000	1	132.8740	0.000	1	130.0917	7.706	3	129.1372	2.052	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CH3){1|C<4>,1|N<3>,3|C<3>}	127.1300	0.000	1	127.1300	0.000	1	127.1300	0.000	1	127.5258	0.374	4	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CCHH)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	127.3490	0.000	1	127.3490	0.000	1	127.2700	0.012	2	127.5258	0.374	4	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CF3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CF3){1|H<1>,4|C<3>}	127.1910	0.000	1	127.1910	0.000	1	127.2700	0.012	2	127.5258	0.374	4	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:2:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(PO3)	N[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(PO3){1|H<1>,4|C<3>}	128.4330	0.000	1	128.4330	0.000	1	128.4330	0.000	1	127.5258	0.374	4	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){3|N<2>}	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2{1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NHH){3|N<2>}	130.7870	0.000	1	130.7870	0.000	1	130.7870	0.000	1	130.7870	0.000	1	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){4|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,2|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,2|N<2>}	125.4995	0.518	2	125.5283	0.137	3	126.3745	0.343	13	126.3745	0.343	13	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){4|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,2|N<2>}	125.5860	0.000	1	125.5283	0.137	3	126.3745	0.343	13	126.3745	0.343	13	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H){1|H<1>,2|N<2>}	126.2760	0.400	2	126.2760	0.160	2	126.3745	0.343	13	126.3745	0.343	13	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|N<2>}	126.5800	0.000	1	126.7165	0.082	8	126.3745	0.343	13	126.3745	0.343	13	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,2|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,2|N<2>}	127.0150	0.040	2	126.7165	0.082	8	126.3745	0.343	13	126.3745	0.343	13	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|N<2>}	126.9220	0.000	1	126.7165	0.082	8	126.3745	0.343	13	126.3745	0.343	13	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|N<2>}	126.4910	0.451	2	126.7165	0.082	8	126.3745	0.343	13	126.3745	0.343	13	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|N<2>}	126.6090	0.092	2	126.7165	0.082	8	126.3745	0.343	13	126.3745	0.343	13	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|N<2>}	129.8170	0.000	1	129.8170	0.000	1	128.6505	2.721	2	128.6505	2.721	2	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|O<1>,2|C<3>,3|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NHH){1|C<4>,2|N<2>}	127.4840	0.000	1	127.4840	0.000	1	128.6505	2.721	2	128.6505	2.721	2	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|N<2>}	128.7797	0.713	3	128.7797	0.508	3	129.8189	1.074	11	129.8189	1.074	11	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2{1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|N<2>}	131.5400	0.000	1	130.2086	0.753	8	129.8189	1.074	11	129.8189	1.074	11	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|N<2>}	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2{1|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|N<2>}	130.0184	0.735	7	130.2086	0.753	8	129.8189	1.074	11	129.8189	1.074	11	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>}	130.1000	0.000	1	130.1000	0.000	1	130.1000	0.000	1	129.6925	0.332	2	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:O[6a]-2:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6a]C[6a]O[6a])(C[5a]N[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a]O[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|O<2>}	129.2850	0.000	1	129.2850	0.000	1	129.2850	0.000	1	129.6925	0.332	2	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	127.1930	0.000	1	127.1930	0.000	1	129.1415	7.593	2	129.1415	7.593	2	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-2:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]N[5a,6a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(N[6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	131.0900	0.000	1	131.0900	0.000	1	129.1415	7.593	2	129.1415	7.593	2	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>}	128.5062	0.610	5	128.5062	0.372	5	128.5062	0.372	5	128.5062	0.372	5	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5,5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5,5a,6]H)(C[6a]C[6a]N[6a])(N[5a]C[5,5a,6])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5,5a,6]H)(C[6a]C[6a]N[6a])(N[5a]C[5,5a,6]){1|H<1>,2|C<3>,2|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[6a]N[5a])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	128.1445	1.406	6	128.1445	1.975	6	128.1445	1.975	6	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	128.2390	0.000	1	128.2390	0.000	1	128.2390	0.000	1	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	126.6980	0.158	3	126.6888	0.131	13	126.6888	0.131	13	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	126.9315	0.324	6	126.6888	0.131	13	126.6888	0.131	13	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	126.3177	0.179	4	126.6888	0.131	13	126.6888	0.131	13	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(N[6a]C[6a,6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(N[6a]C[6a,6a]){2|H<1>,6|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	126.8135	1.073	2	126.8135	1.151	2	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	127.2750	0.443	2	127.2750	0.196	2	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	127.2630	0.000	1	127.2683	0.011	3	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|N<2>}	127.1670	0.000	1	127.2683	0.011	3	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	127.3750	0.000	1	127.2683	0.011	3	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	128.3780	0.000	1	128.3780	0.000	1	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	126.9630	0.724	2	126.9630	0.524	2	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	128.6200	0.000	1	127.4366	1.128	58	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|I<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	127.3290	0.126	2	127.4366	1.128	58	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	126.8855	0.588	4	127.4366	1.128	58	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	124.9363	3.551	3	127.4366	1.128	58	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	127.8100	0.000	1	127.4366	1.128	58	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	128.1975	0.614	2	127.4366	1.128	58	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	127.1328	0.671	4	127.4366	1.128	58	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	127.8885	0.193	2	127.4366	1.128	58	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	127.7418	0.572	24	127.4366	1.128	58	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	127.5187	0.443	3	127.4366	1.128	58	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	127.5547	0.339	7	127.4366	1.128	58	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	128.0590	0.000	1	127.4366	1.128	58	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	126.8650	0.000	1	127.4366	1.128	58	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	127.0040	0.521	3	127.4366	1.128	58	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(H){1|C<3>,1|H<1>,1|N<2>}	127.0870	0.000	1	127.0870	0.000	1	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H){1|C<3>,1|H<1>,1|N<2>}	126.4960	0.000	1	126.7813	1.356	3	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H){1|C<3>,1|H<1>,1|N<2>}	126.9240	1.609	2	126.7813	1.356	3	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	128.5740	0.000	1	128.4105	0.329	6	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	128.3778	0.635	5	128.4105	0.329	6	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]S)(N[6a]N[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]S)(N[6a]N[6a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	127.2010	0.000	1	127.2010	0.000	1	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	126.5950	1.575	2	126.5950	2.482	2	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	129.5150	0.000	1	129.5150	0.000	1	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|Fe<10>,1|C<3>,1|N<2>,2|C<4>}	128.9170	0.000	1	128.9170	0.000	1	127.4738	1.100	83	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]O)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]O)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|N<2>}	128.0990	0.000	1	128.0990	0.000	1	128.0990	0.000	1	127.4277	1.099	104	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6]-3:N[5a]-3:O-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]O)(N[5a]C[5a,6])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(OH)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]O)(N[5a]C[5a,6]){1|H<1>,2|C<3>,2|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(OH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	127.3790	0.000	1	127.3790	0.000	1	127.3790	0.000	1	127.3670	0.000	2	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]O)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]O)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH){1|N<2>,2|C<3>}	127.3550	0.000	1	127.3550	0.000	1	127.3550	0.000	1	127.3670	0.000	2	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	130.5180	0.000	1	130.5180	0.000	1	130.5180	0.000	1	129.8136	1.286	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	132.0190	0.000	1	130.8320	2.818	2	130.8320	2.818	2	129.8136	1.286	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	129.6450	0.000	1	130.8320	2.818	2	130.8320	2.818	2	129.8136	1.286	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	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[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NHH){1|C<4>,1|N<2>,1|N<3>}	128.5450	0.000	1	128.5450	0.000	1	128.5450	0.000	1	129.8136	1.286	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|H<1>,7|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	130.7040	0.000	1	129.0000	5.807	2	129.0000	5.807	2	129.8136	1.286	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|H<1>,7|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	127.2960	0.000	1	129.0000	5.807	2	129.0000	5.807	2	129.8136	1.286	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CNO)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|Br<1>,1|Cl<1>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CNO){1|Br<1>,1|C<3>,1|N<2>}	129.9910	1.230	2	129.9910	1.514	2	129.8020	0.690	4	129.8136	1.286	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|Br<1>,1|Cl<1>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){1|Br<1>,1|C<3>,1|N<2>}	129.1580	0.000	1	129.6130	0.414	2	129.8020	0.690	4	129.8136	1.286	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){1|C<3>,1|C<4>,1|N<2>}	130.0680	0.000	1	129.6130	0.414	2	129.8020	0.690	4	129.8136	1.286	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH){1|C<3>,1|C<4>,1|N<2>}	129.6120	0.000	1	129.6120	0.000	1	129.8637	0.168	4	129.8136	1.286	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6]H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6]H){1|C<3>,1|C<4>,1|N<2>}	130.1910	0.000	1	130.1910	0.000	1	129.8637	0.168	4	129.8136	1.286	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){1|C<3>,1|C<4>,1|N<2>}	129.4200	0.000	1	129.4200	0.000	1	129.8637	0.168	4	129.8136	1.286	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|C<3>,1|H<1>,1|N<2>}	130.2320	0.000	1	130.2320	0.000	1	129.8637	0.168	4	129.8136	1.286	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5,6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5,6a]C[5,6a]2)(N[5a]C[5a]N[5a])(N[6a]N[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(N[5a]C[5a]N[5a])(N[6a]N[6a]){1|C<4>,6|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	128.7180	1.061	2	128.7180	1.125	2	128.7180	1.125	2	129.8462	1.291	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|C<4>,1|N<2>}	128.9670	0.000	1	128.9670	0.000	1	128.8010	0.122	3	129.8462	1.291	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	128.4000	0.000	1	128.4000	0.000	1	128.8010	0.122	3	129.8462	1.291	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]N[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]N[6a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	129.0360	0.000	1	129.0360	0.000	1	128.8010	0.122	3	129.8462	1.291	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]C)(N[6a]N[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]C)(N[6a]N[6a]){1|B<4>,1|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	127.9270	0.000	1	127.9270	0.000	1	130.3365	0.952	11	129.8462	1.291	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	130.0280	0.000	1	130.5347	0.504	7	130.3365	0.952	11	129.8462	1.291	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	131.7890	0.000	1	130.5347	0.504	7	130.3365	0.952	11	129.8462	1.291	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	130.3297	0.328	3	130.5347	0.504	7	130.3365	0.952	11	129.8462	1.291	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	129.8200	0.000	1	130.5347	0.504	7	130.3365	0.952	11	129.8462	1.291	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<2>,1|N<3>}	131.1170	0.000	1	130.5347	0.504	7	130.3365	0.952	11	129.8462	1.291	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	130.7900	0.000	1	130.7900	0.000	1	130.3365	0.952	11	129.8462	1.291	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3){1|N<2>,2|C<3>}	130.4540	0.000	1	130.4540	0.000	1	130.3365	0.952	11	129.8462	1.291	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	130.7870	0.000	1	130.7870	0.000	1	130.3365	0.952	11	129.8462	1.291	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]Cl){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	130.5935	0.689	2	130.5935	0.475	2	129.8978	0.456	6	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	129.8180	0.212	2	129.5500	0.117	4	129.8978	0.456	6	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N){2|Cl<1>,1|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	129.2820	0.140	2	129.5500	0.117	4	129.8978	0.456	6	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(Cl)	N[5a](C[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(Cl){2|C<3>}	130.4230	0.000	1	130.4230	0.000	1	130.4230	0.000	1	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]S[6a]S)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,2|S<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]S[6a]S){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	129.7060	0.552	6	129.7060	0.304	6	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	129.3475	0.103	2	129.3475	0.011	2	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,2|C<3>}	131.2975	1.600	2	131.2975	2.561	2	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	129.8980	0.337	2	129.8980	0.113	2	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	129.4004	0.813	23	129.4716	0.672	26	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	130.0177	0.793	3	129.4716	0.672	26	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	129.8370	0.000	1	129.8735	1.658	11	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	129.8771	1.357	10	129.8735	1.658	11	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	130.8020	0.000	1	131.1530	0.246	2	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	131.5040	0.000	1	131.1530	0.246	2	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	130.5290	0.000	1	130.5290	0.000	1	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	130.1530	0.000	1	130.7387	1.679	3	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	129.8390	0.000	1	130.7387	1.679	3	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	132.2240	0.000	1	130.7387	1.679	3	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	130.3730	0.000	1	131.5400	1.414	3	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	132.1235	0.886	2	131.5400	1.414	3	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	128.0814	5.325	8	129.6319	14.778	17	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	130.9741	0.465	8	129.6319	14.778	17	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	131.2980	0.000	1	129.6319	14.778	17	129.8347	4.116	75	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O)	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O){1|C<4>,2|C<3>}	126.3880	0.322	2	126.3880	0.104	2	127.7190	1.558	5	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O)	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O){1|C<4>,2|C<3>}	128.2430	0.000	1	128.6063	0.112	3	127.7190	1.558	5	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O)	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O){3|C<3>}	128.7880	0.163	2	128.6063	0.112	3	127.7190	1.558	5	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a]S[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(S[5a]C[5a])(O)	N[5a](C[5a]S[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(S[5a]C[5a])(O){3|C<3>}	125.4365	0.791	2	125.4365	0.626	2	125.4365	0.626	2	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a]N[5a]){1|N<2>,3|H<1>,6|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	129.4200	0.000	1	129.4200	0.000	1	129.4200	0.000	1	129.6256	4.173	90	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC){2|C<3>}	133.2520	0.000	1	133.2520	0.000	1	133.2520	0.000	1	131.0386	1.542	48	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(OC)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(OC){2|C<3>}	131.4235	2.265	2	131.4235	5.130	2	131.4235	5.130	2	131.0386	1.542	48	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC){2|C<3>}	129.4750	0.000	1	129.9050	0.370	2	130.9723	1.408	45	131.0386	1.542	48	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC){2|C<3>}	130.3350	0.000	1	129.9050	0.370	2	130.9723	1.408	45	131.0386	1.542	48	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SPt)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SPt){2|C<3>}	131.7000	0.000	1	131.7000	0.000	1	130.9723	1.408	45	131.0386	1.542	48	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|S<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC){2|C<3>}	131.6160	0.000	1	131.6160	0.000	1	130.9723	1.408	45	131.0386	1.542	48	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC){2|C<3>}	130.8142	1.190	34	130.8142	1.416	34	130.9723	1.408	45	131.0386	1.542	48	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a])	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a]){2|C<3>}	132.5050	0.000	1	132.5050	0.000	1	130.9723	1.408	45	131.0386	1.542	48	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCd)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCd){2|C<3>}	131.9105	1.959	2	131.9105	3.839	2	130.9723	1.408	45	131.0386	1.542	48	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SPd)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SPd){2|C<3>}	131.0830	0.000	1	131.0830	0.000	1	130.9723	1.408	45	131.0386	1.542	48	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SS)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SS){2|C<3>}	131.8447	0.524	3	131.8447	0.275	3	130.9723	1.408	45	131.0386	1.542	48	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6]H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6]H){3|C<3>}	130.0430	0.102	2	130.0430	0.010	2	130.6698	1.121	15	130.7230	1.193	17	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6a]H){3|C<3>}	129.5370	0.000	2	129.5370	0.000	2	130.6698	1.121	15	130.7230	1.193	17	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NHH){1|N<2>,2|C<3>}	130.8620	0.000	1	130.8620	0.000	1	130.6698	1.121	15	130.7230	1.193	17	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NCH){2|C<3>}	131.7330	0.000	1	131.7330	0.000	1	130.6698	1.121	15	130.7230	1.193	17	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H){2|C<3>}	130.9940	0.000	1	130.9940	0.000	1	130.6698	1.121	15	130.7230	1.193	17	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH){2|C<3>}	130.5480	0.000	1	130.5480	0.000	1	130.6698	1.121	15	130.7230	1.193	17	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H){2|C<3>}	131.4062	1.648	4	131.4062	2.715	4	130.6698	1.121	15	130.7230	1.193	17	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH){2|C<3>}	130.3750	0.482	3	130.3750	0.232	3	130.6698	1.121	15	130.7230	1.193	17	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:N[5]-3:	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(N[5]C[5]2)	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(N[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	132.3540	0.000	1	132.3540	0.000	1	132.3540	0.000	1	130.7230	1.193	17	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]N)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH){2|C<3>}	129.8900	0.000	1	129.8900	0.000	1	129.8900	0.000	1	130.7230	1.193	17	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	129.4165	1.399	2	129.4165	1.958	2	130.0836	0.892	8	131.6423	2.617	20	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN){2|C<3>}	130.0745	0.412	2	130.0745	0.170	2	130.0836	0.892	8	131.6423	2.617	20	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH){2|C<3>}	130.9220	0.000	1	130.9220	0.000	1	130.0836	0.892	8	131.6423	2.617	20	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]CH)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]CH){2|C<3>}	129.6275	0.272	2	129.6275	0.074	2	130.0836	0.892	8	131.6423	2.617	20	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH){2|C<3>}	131.5100	0.000	1	131.5100	0.000	1	130.0836	0.892	8	131.6423	2.617	20	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCOO)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,1|S<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCOO){2|C<3>}	134.5690	0.000	1	134.5690	0.000	1	132.6813	1.007	12	131.6423	2.617	20	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SBOO)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SBOO){2|C<3>}	133.9970	0.000	1	133.9970	0.000	1	132.6813	1.007	12	131.6423	2.617	20	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCOO)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCOO){2|C<3>}	132.4870	0.645	9	132.4870	0.416	9	132.6813	1.007	12	131.6423	2.617	20	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC[5]OO)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC[5]OO){2|C<3>}	131.2270	0.000	1	131.2270	0.000	1	132.6813	1.007	12	131.6423	2.617	20	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a]N[5a]){2|C<3>,3|H<1>,5|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){2|C<3>}	122.5075	0.230	2	122.5075	0.053	2	122.5075	0.053	2	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|B<6>,2|C<3>,3|H<1>}	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	127.5010	0.000	1	127.5010	0.000	1	125.4452	16.136	5	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.6585	1.669	2	128.6585	2.787	2	125.4452	16.136	5	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,3|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){2|C<3>}	121.2040	0.950	2	121.2040	0.903	2	125.4452	16.136	5	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|I<1>,1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	129.6230	0.000	1	129.6230	0.000	1	129.6230	0.000	1	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(Br)	N[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(Br){4|C<3>}	128.8555	0.582	2	128.8555	0.339	2	128.8555	0.339	2	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	128.8880	0.000	1	128.8880	0.000	1	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	131.6240	0.000	1	131.1464	0.401	10	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	131.0933	0.648	9	131.1464	0.401	10	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	128.1780	0.000	1	128.1780	0.000	1	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	128.7280	0.000	1	128.7280	0.000	1	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|Br<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	128.5475	0.885	2	128.5475	0.783	2	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	128.8470	0.000	1	128.8470	0.000	1	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	128.5640	0.979	2	128.5640	0.958	2	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	130.8790	0.000	1	131.1310	0.093	3	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	131.2570	0.303	2	131.1310	0.093	3	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|F<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|H<1>,1|N<2>,2|C<3>,2|F<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	129.7473	0.217	3	129.7473	0.047	3	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	129.3224	1.139	14	129.3224	1.297	14	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	131.8420	2.531	3	131.0268	3.859	6	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	130.2117	1.118	3	131.0268	3.859	6	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	128.7230	0.602	3	128.8800	0.341	4	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	129.3510	0.000	1	128.8800	0.341	4	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	129.3010	0.000	1	129.3010	0.000	1	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<3>,3|C<3>}	131.6590	1.478	4	130.1544	3.654	8	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<3>,3|C<3>}	128.6497	0.553	4	130.1544	3.654	8	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	131.0520	0.000	1	129.6592	0.625	63	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	129.2560	0.000	1	129.6592	0.625	63	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	130.2390	0.000	1	129.6592	0.625	63	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	129.9890	0.000	1	129.6592	0.625	63	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	130.1663	0.509	10	129.6592	0.625	63	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	129.7618	0.778	16	129.6592	0.625	63	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	129.3551	0.758	32	129.6592	0.625	63	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	130.7810	0.000	1	129.6592	0.625	63	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Se<2>,1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	129.6045	0.643	2	129.6045	0.413	2	129.7823	1.329	122	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|I<1>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I){4|C<3>}	128.4789	1.210	8	128.4789	1.463	8	128.9643	1.919	15	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|F<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|I<1>,1|N<2>,2|C<3>,2|F<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I){4|C<3>}	129.5190	1.449	7	129.5190	2.099	7	128.9643	1.919	15	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	129.9326	1.184	14	129.9199	1.304	15	130.0085	1.137	18	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	129.7430	0.000	1	129.9199	1.304	15	130.0085	1.137	18	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(Cl)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(Cl){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	130.8770	0.000	1	130.8770	0.000	1	130.0085	1.137	18	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(Cl)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(Cl){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	130.0220	0.000	1	130.0220	0.000	1	130.0085	1.137	18	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(Cl)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(Cl){1|H<1>,2|C<3>}	130.4550	0.000	1	130.4550	0.000	1	130.0085	1.137	18	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.9925	0.306	2	128.9925	0.094	2	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	129.1100	0.000	1	129.1100	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	126.6420	0.537	2	126.7473	1.385	4	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	126.8525	1.955	2	126.7473	1.385	4	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	127.4910	0.000	1	126.8490	0.824	2	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	126.2070	0.000	1	126.8490	0.824	2	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	130.0910	0.000	1	130.0910	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>}	128.3120	0.000	1	128.0513	0.184	4	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	128.4980	0.000	1	128.0513	0.184	4	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	127.6975	0.185	2	128.0513	0.184	4	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	126.9120	0.494	3	127.6101	0.453	17	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	128.1850	0.000	1	127.6101	0.453	17	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	127.5080	0.310	6	127.6101	0.453	17	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	127.5268	0.528	5	127.6101	0.453	17	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.7640	0.000	1	127.6101	0.453	17	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	129.0050	0.000	1	127.6101	0.453	17	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(H){3|C<3>}	129.8900	0.313	2	129.8900	0.098	2	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	129.5750	0.000	1	129.5750	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	128.4410	0.000	1	128.6240	0.067	2	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,4|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.8070	0.000	1	128.6240	0.067	2	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	126.3710	0.000	1	126.3710	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(H){1|N<3>,4|C<3>}	127.4840	0.000	1	127.4840	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	127.3330	0.000	1	128.3313	0.234	35	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>}	128.1940	0.000	1	128.3313	0.234	35	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	128.0273	0.833	3	128.3313	0.234	35	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	128.2850	0.000	1	128.3313	0.234	35	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	128.4215	0.421	26	128.3313	0.234	35	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	128.2473	0.556	3	128.3313	0.234	35	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	127.8977	0.770	12	128.0079	0.574	18	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	127.7493	0.745	3	128.0079	0.574	18	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	128.9385	0.042	2	128.0079	0.574	18	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	128.2460	0.000	1	128.0079	0.574	18	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(H){1|H<1>,5|C<3>}	126.3330	0.000	1	126.3330	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Br<1>,2|C<3>}	127.1750	0.000	1	127.3239	5.474	36	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	128.3230	0.000	1	127.3239	5.474	36	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	128.3546	0.419	8	127.3239	5.474	36	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|O<2>,2|C<3>}	129.6880	0.000	1	127.3239	5.474	36	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.8310	0.000	1	127.3239	5.474	36	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.4740	0.000	1	127.3239	5.474	36	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	128.2890	0.000	1	127.3239	5.474	36	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	126.0074	3.253	14	127.3239	5.474	36	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){3|C<3>}	127.7425	1.033	8	127.3239	5.474	36	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H){1|H<1>,2|C<3>}	127.8550	0.000	1	127.8550	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5,6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(H){2|C<3>}	130.7790	0.000	1	130.7790	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.6650	0.000	1	129.6650	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	130.8907	0.690	4	130.8907	0.476	4	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	128.2590	0.000	1	128.2590	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	130.4795	0.463	2	130.2087	0.327	3	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.6670	0.000	1	130.2087	0.327	3	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){2|C<3>}	127.9760	0.000	1	127.9760	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){2|C<3>}	128.7170	0.000	1	128.7170	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	127.8050	0.438	2	127.8050	0.192	2	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	132.8730	0.000	1	132.8730	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	127.6250	0.000	1	127.6250	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){2|C<3>}	130.3910	0.000	1	130.3910	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.6900	0.000	1	129.6118	1.196	4	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.6440	1.887	2	129.6118	1.196	4	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.4690	0.000	1	129.6118	1.196	4	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.6635	0.441	2	129.3569	0.400	47	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.3685	1.136	2	129.3569	0.400	47	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	128.7430	0.000	1	129.3569	0.400	47	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.4985	1.194	2	129.3569	0.400	47	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.1065	0.314	4	129.3569	0.400	47	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.3661	0.608	19	129.3569	0.400	47	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	129.3874	0.693	17	129.3569	0.400	47	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	129.7005	0.394	2	129.5813	0.269	4	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|P<4>,3|C<3>}	129.4620	0.772	2	129.5813	0.269	4	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){1|H<1>,1|O<2>,3|C<3>}	129.3960	0.000	1	129.7900	1.537	4	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){1|N<3>,3|C<3>}	130.6190	0.000	1	129.7900	1.537	4	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){4|C<3>}	129.5725	1.917	2	129.7900	1.537	4	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){2|C<3>}	128.5822	3.384	4	129.1561	6.245	7	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){2|C<3>}	129.9715	0.146	2	129.1561	6.245	7	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){2|C<3>}	129.8210	0.000	1	129.1561	6.245	7	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){2|C<3>}	129.9275	0.043	2	129.6974	1.263	8	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){2|C<3>}	129.6207	1.319	6	129.6974	1.263	8	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P[5])(H){1|O<1>,4|C<3>}	129.2755	0.279	2	129.2755	0.078	2	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){1|O<2>,2|C<3>,2|C<4>}	129.2440	0.583	2	129.2440	0.339	2	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	127.6610	0.000	1	127.6610	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]C){1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	126.9380	0.000	1	126.9380	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	128.3430	0.000	1	128.3430	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	127.5550	0.000	1	127.5550	0.000	1	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	127.6330	0.000	1	127.4315	0.081	2	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	127.2300	0.000	1	127.4315	0.081	2	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	127.5110	0.592	3	127.5110	0.351	3	128.5059	2.352	233	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|I<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I){3|C<3>}	128.7670	0.000	1	128.9070	0.039	2	128.9941	1.910	10	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I){3|C<3>}	129.0470	0.000	1	128.9070	0.039	2	128.9941	1.910	10	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|S<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|I<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(I){1|C<2>,2|C<3>}	125.9430	0.000	1	125.9430	0.000	1	128.9941	1.910	10	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|I<1>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	129.6070	0.000	1	128.7095	1.611	2	128.9941	1.910	10	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|I<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	127.8120	0.000	1	128.7095	1.611	2	128.9941	1.910	10	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]I)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|I<1>,1|N<2>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]I){1|H<1>,1|I<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	129.3940	0.000	1	129.3940	0.000	1	128.9941	1.910	10	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|I<1>,1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I){3|C<3>}	129.5340	0.000	1	129.5340	0.000	1	128.9941	1.910	10	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	131.2920	0.000	1	130.1395	2.657	2	128.9941	1.910	10	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	128.9870	0.000	1	130.1395	2.657	2	128.9941	1.910	10	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]I)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,2|I<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]I)2{1|Cl<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	129.5580	0.000	1	129.5580	0.000	1	128.9941	1.910	10	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]S)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]S)(O){1|C<4>,2|C<3>}	125.7790	0.000	1	125.7790	0.000	1	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]S)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]S)(O){1|C<4>,2|C<3>}	126.7520	0.000	1	126.7520	0.000	1	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|C<4>,2|C<3>}	127.8080	0.000	1	127.8080	0.000	1	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O){5|C<3>}	127.5420	0.000	1	127.5420	0.000	1	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|H<1>,2|C<3>}	127.6290	0.000	1	127.5184	1.771	5	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|H<1>,2|C<3>}	128.5480	0.000	1	127.5184	1.771	5	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|C<4>,2|C<3>}	128.0700	0.608	2	127.5184	1.771	5	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|H<1>,2|C<3>}	125.2750	0.000	1	127.5184	1.771	5	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(O){1|C<4>,2|C<3>}	129.1393	0.232	3	129.1022	0.041	4	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(O){1|H<1>,2|C<3>}	128.9910	0.000	1	129.1022	0.041	4	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]N)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]N)(O){1|C<4>,2|C<3>}	128.3340	0.124	2	128.5207	0.112	3	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]N)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]N)(O){1|C<4>,2|C<3>}	128.8940	0.000	1	128.5207	0.112	3	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]C)(O){2|C<3>}	129.2420	0.000	1	128.3735	1.509	2	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]C)(O){2|C<3>}	127.5050	0.000	1	128.3735	1.509	2	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]H)(O){2|C<3>}	129.6985	0.326	2	129.5387	0.130	3	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]H)(O){2|C<3>}	129.2190	0.000	1	129.5387	0.130	3	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])2(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a](N[5a]C[6a]N[5a])2(O){4|C<3>}	129.2030	0.000	1	129.0854	0.157	18	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])2(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5a](N[5a]C[6a]N[5a])2(O){4|C<3>}	129.3550	0.000	1	129.0854	0.157	18	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])2(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])2(O){4|C<3>}	129.0543	0.428	15	129.0854	0.157	18	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])2(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|O<2>}	C[5a](N[5a]C[6a]N[5a])2(O){4|C<3>}	129.1640	0.000	1	129.0854	0.157	18	128.6242	1.022	39	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](N[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]O[5a])(C[5a]C[5a]H)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]O[5a])(C[5a]C[5a]H)(O){3|C<3>}	133.8890	0.000	1	133.8890	0.000	1	133.8890	0.000	1	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:S[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](N[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]S[5a])(C[5a]C[5a]H)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(S[5a]C[5a]){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]S[5a])(C[5a]C[5a]H)(O){1|Cl<1>,2|C<3>}	124.7870	0.000	1	124.7870	0.000	1	124.7870	0.000	1	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	128.3705	0.258	4	128.3705	0.066	4	128.3705	0.066	4	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	128.7940	0.000	1	128.7940	0.000	1	128.0745	0.780	4	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	128.8510	0.000	1	127.8347	0.826	3	128.0745	0.780	4	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	127.3265	0.319	2	127.8347	0.826	3	128.0745	0.780	4	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	127.8950	0.000	1	128.1045	0.088	2	126.8158	0.876	10	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,2|C<3>,2|N<3>}	128.3140	0.000	1	128.1045	0.088	2	126.8158	0.876	10	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){3|C<3>}	126.7425	0.063	2	126.4804	0.605	7	126.8158	0.876	10	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	126.3710	0.000	1	126.4804	0.605	7	126.8158	0.876	10	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	126.3768	1.070	4	126.4804	0.605	7	126.8158	0.876	10	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	126.5860	0.000	1	126.5860	0.000	1	126.8158	0.876	10	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	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[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>}	131.2830	0.000	1	131.2830	0.000	1	130.2060	0.576	4	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	129.8470	0.301	3	129.8470	0.091	3	130.2060	0.576	4	128.8519	2.721	471	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[5a])	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[5a]){2|C<3>}	130.0380	0.000	1	130.0380	0.000	1	130.0380	0.000	1	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]O[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]O[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	133.3090	0.000	1	133.3090	0.000	1	133.3090	0.000	1	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|Cl<1>,1|C<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(NC){1|C<2>,2|C<3>}	126.9557	0.518	4	126.9557	0.268	4	127.8350	4.319	25	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|Cl<1>,1|C<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(NC){1|C<2>,2|C<3>}	126.9120	0.243	2	126.9120	0.059	2	127.8350	4.319	25	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<2>,2|C<3>}	126.4964	1.423	11	126.4964	2.025	11	127.8350	4.319	25	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC){1|C<4>,2|C<3>}	130.8500	0.000	1	131.2690	0.351	2	127.8350	4.319	25	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC){1|C<4>,2|C<3>}	131.6880	0.000	1	131.2690	0.351	2	127.8350	4.319	25	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<4>,2|C<3>}	130.5648	0.582	4	130.5648	0.339	4	127.8350	4.319	25	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NN){1|C<4>,2|C<3>}	128.4300	0.000	1	128.4300	0.000	1	127.8350	4.319	25	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(NN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(NN){1|C<4>,2|C<3>}	129.5410	0.000	1	129.5410	0.000	1	127.8350	4.319	25	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){1|C<4>,2|C<3>}	126.2740	0.000	1	126.2740	0.000	1	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(OC[6a])	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(OC[6a]){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	130.2105	0.177	2	130.2105	0.032	2	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OBa)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OBa){1|C<4>,2|C<3>}	127.8370	0.000	1	127.8370	0.000	1	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	130.0350	1.283	2	130.5652	3.535	9	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	130.7167	2.078	7	130.5652	3.535	9	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a])	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a]){1|C<4>,2|C<3>}	129.7877	0.730	11	129.7877	0.533	11	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCd)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCd){1|C<4>,2|C<3>}	128.9440	1.120	3	128.9440	1.254	3	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCo)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCo){1|C<4>,2|C<3>}	129.5138	1.128	9	129.5138	1.273	9	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCu)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCu){1|C<4>,2|C<3>}	129.3607	0.415	3	129.3607	0.172	3	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OFe)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OFe){1|C<4>,2|C<3>}	131.0675	2.159	2	131.0675	4.660	2	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){1|C<4>,2|C<3>}	129.7890	0.000	1	130.0186	0.873	31	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){1|C<4>,2|C<3>}	130.2524	0.873	20	130.0186	0.873	31	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){1|C<4>,2|C<3>}	129.7155	0.750	2	130.0186	0.873	31	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){3|C<3>}	129.5386	1.067	8	130.0186	0.873	31	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OIr)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OIr){1|C<4>,2|C<3>}	129.3000	1.262	4	129.3000	1.592	4	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OMo)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OMo){1|C<4>,2|C<3>}	129.0977	0.977	6	129.0977	0.955	6	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ONi)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ONi){1|C<4>,2|C<3>}	129.4043	0.871	7	129.4043	0.758	7	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORh)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORh){1|C<4>,2|C<3>}	129.5825	0.157	4	129.5825	0.025	4	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORu)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORu){1|C<4>,2|C<3>}	129.4633	1.164	20	129.4633	1.355	20	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OS)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OS){1|C<4>,2|C<3>}	130.4070	0.000	1	130.4070	0.000	1	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OSn)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OSn){1|C<4>,2|C<3>}	129.5140	0.000	1	129.5140	0.000	1	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OZn)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OZn){1|C<4>,2|C<3>}	129.5375	0.025	2	129.5375	0.001	2	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(OC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(OC){1|C<4>,1|N<3>,4|C<3>}	129.3665	0.223	2	129.3665	0.050	2	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(OC[6a])	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(OC[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	130.6305	0.565	2	130.6305	0.319	2	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(OC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(OC){1|H<1>,2|C<4>,3|C<3>}	128.8730	0.000	1	128.8730	0.000	1	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC){1|C<4>,2|C<3>}	129.8587	0.345	3	129.4174	0.427	7	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|Cl<1>,1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC){1|C<4>,2|C<3>}	129.1270	1.013	2	129.4174	0.427	7	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC){3|C<3>}	129.0460	0.520	2	129.4174	0.427	7	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH){1|C<4>,2|C<3>}	129.0273	1.400	4	128.7586	1.831	5	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH){3|C<3>}	127.6840	0.000	1	128.7586	1.831	5	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OS)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OS){3|C<3>}	130.5430	0.000	1	130.5430	0.000	1	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(OCu)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(OCu){1|C<4>,2|C<3>}	129.9835	0.247	2	129.9835	0.061	2	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(OZn)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(OZn){1|C<4>,2|C<3>}	129.8600	0.175	2	129.8600	0.031	2	129.6659	1.255	139	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[5a])	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[5a]){1|C<4>,2|C<3>}	128.3260	0.629	3	128.3260	0.396	3	128.3260	0.396	3	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,5|C<3>}	133.5560	0.000	1	133.5560	0.000	1	130.9464	2.289	17	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	130.1105	0.633	2	130.8497	1.527	14	130.9464	2.289	17	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,5|C<3>}	131.1420	1.268	9	130.8497	1.527	14	130.9464	2.289	17	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	130.4657	1.462	3	130.8497	1.527	14	130.9464	2.289	17	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	130.3180	3.007	2	130.3180	9.040	2	130.9464	2.289	17	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5]-3:N[5a]-2:	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5]C[5,6]C[5])(N[5a]C[5a])	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5]C[5,6]C[5])(N[5a]C[5a]){1|C<4>,1|O<1>,1|O<2>,5|C<3>}	130.9990	0.000	1	130.9990	0.000	1	130.9990	0.000	1	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]2)(N[5a]C[5a])	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]2)(N[5a]C[5a]){1|H<1>,1|N<2>,5|C<3>}	129.4120	0.000	1	129.4120	0.000	1	131.4085	7.972	2	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|N<2>,4|C<3>}	133.4050	0.000	1	133.4050	0.000	1	131.4085	7.972	2	129.5643	2.439	189	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){2|N<2>,6|C<3>}	129.2263	1.226	6	129.2263	1.503	6	129.2263	1.503	6	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	130.4040	0.000	1	130.4040	0.000	1	130.4040	0.000	1	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCH){4|C<3>}	126.7990	0.000	1	126.7990	0.000	1	126.7990	0.000	1	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	130.3360	0.000	1	130.3360	0.000	1	129.7675	11.199	6	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]S[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	128.4570	0.000	1	128.4570	0.000	1	129.7675	11.199	6	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	129.6600	7.214	2	129.6600	52.040	2	129.7675	11.199	6	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]Si)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]Si){1|H<1>,1|N<3>,4|C<3>}	131.0920	0.000	1	131.0920	0.000	1	129.7675	11.199	6	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O){1|H<1>,1|S<2>,3|C<3>}	129.4000	0.000	1	129.4000	0.000	1	129.7675	11.199	6	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	129.5760	0.794	5	129.3683	0.763	6	129.9936	1.404	9	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	128.3300	0.000	1	129.3683	0.763	6	129.9936	1.404	9	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	131.2440	0.438	3	131.2440	0.192	3	129.9936	1.404	9	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH){5|C<3>}	128.8910	0.000	1	128.8910	0.000	1	129.8446	0.671	7	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH){5|C<3>}	130.3417	0.917	3	130.0035	0.593	6	129.8446	0.671	7	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH){1|H<1>,4|C<3>}	129.6653	0.548	3	130.0035	0.593	6	129.8446	0.671	7	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-3:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2){4|C<3>}	129.2290	0.000	1	129.2290	0.000	1	129.3625	1.331	4	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-3:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|P<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2){4|C<3>}	129.4070	1.409	3	129.4070	1.984	3	129.3625	1.331	4	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	128.8600	0.000	1	128.8600	0.000	1	128.9363	0.407	4	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,5|C<3>}	128.9075	1.094	2	128.9075	1.197	2	128.9363	0.407	4	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O){1|H<1>,4|C<3>}	129.0700	0.000	1	129.0700	0.000	1	128.9363	0.407	4	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:B[5]-3:	N[5a](C[5a]C[5a]B[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(B[5]O[5]2)	N[5a](C[5a]C[5a]B[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|B<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(B[5]O[5]2){2|C<3>,3|C<4>}	128.5870	0.000	1	128.5870	0.000	1	128.5870	0.000	1	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO){1|H<1>,2|C<3>}	130.4150	0.000	1	130.4150	0.000	1	129.5889	1.027	34	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCH){3|C<3>}	129.4120	0.000	1	129.4120	0.000	1	129.5889	1.027	34	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CN[6]O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CN[6]O){1|C<4>,2|C<3>}	129.9660	0.000	1	129.9660	0.000	1	129.5889	1.027	34	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){3|C<3>}	129.5140	0.000	1	129.5140	0.000	1	129.5889	1.027	34	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Pd)(CC[5a]H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Pd)(CC[5a]H){3|C<3>}	129.2430	0.000	1	129.2430	0.000	1	129.5889	1.027	34	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHH){3|C<3>}	127.5050	0.000	1	127.5050	0.000	1	129.5889	1.027	34	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCC)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCC){2|C<3>}	129.8740	1.502	2	129.8740	2.256	2	129.5889	1.027	34	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCH){2|C<3>}	129.9420	0.467	2	129.9420	0.218	2	129.5889	1.027	34	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO){2|C<3>}	130.5805	0.575	2	130.5805	0.330	2	129.5889	1.027	34	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CCH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CCH){2|C<3>}	129.6020	1.308	2	129.6020	1.711	2	129.5889	1.027	34	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O){2|C<3>}	130.4790	0.000	1	130.4790	0.000	1	129.5889	1.027	34	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CCO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CCO){2|C<3>}	130.2400	0.000	1	130.2400	0.000	1	129.5889	1.027	34	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CCO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CCO){2|C<3>}	129.5871	1.037	15	129.5871	1.074	15	129.5889	1.027	34	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[5a]O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[5a]O){2|C<3>}	129.4660	0.000	1	129.4660	0.000	1	129.5889	1.027	34	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CHN)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CHN){2|C<3>}	128.3730	0.000	1	128.3730	0.000	1	129.5889	1.027	34	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CHO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CHO){2|C<3>}	127.6050	0.000	1	127.6050	0.000	1	129.5889	1.027	34	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|C<4>,2|N<3>}	130.7632	0.931	4	130.3734	1.410	5	129.9748	2.081	6	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	128.8140	0.000	1	130.3734	1.410	5	129.9748	2.081	6	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]O[5a]O)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]O[5a]O){1|N<3>,2|H<1>,3|C<3>}	127.9820	0.000	1	127.9820	0.000	1	129.9748	2.081	6	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6]-3:	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	129.9470	0.000	1	129.9470	0.000	1	129.9470	0.000	1	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	129.4050	0.000	1	129.4050	0.000	1	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	128.1197	1.083	3	128.1060	0.533	6	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	127.9200	0.000	1	128.1060	0.533	6	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	128.1785	0.524	2	128.1060	0.533	6	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	129.1405	1.880	2	129.4180	1.999	3	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	129.9730	0.000	1	129.4180	1.999	3	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	129.6760	0.000	1	129.6760	0.000	1	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	129.8270	0.000	1	129.8270	0.000	1	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	128.0920	0.000	1	128.0920	0.000	1	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	128.3460	0.000	1	128.3460	0.000	1	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<1>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	129.0640	0.000	1	128.9428	0.774	15	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	129.6450	0.000	1	128.9428	0.774	15	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	127.7540	0.935	2	128.9428	0.774	15	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	129.0760	0.789	2	128.9428	0.774	15	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	130.4370	0.000	1	128.9428	0.774	15	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	128.9128	0.858	6	128.9428	0.774	15	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	128.9295	0.228	2	128.9428	0.774	15	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	128.7450	0.000	1	129.5881	0.939	69	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	128.8420	0.000	1	129.5881	0.939	69	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	129.4300	0.000	1	129.5881	0.939	69	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	129.9170	0.852	27	129.5881	0.939	69	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	130.4437	1.635	4	129.5881	0.939	69	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,5|C<3>}	129.2300	0.000	1	129.5881	0.939	69	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	129.9450	0.706	3	129.5881	0.939	69	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	129.9080	0.000	1	129.5881	0.939	69	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	129.2247	0.859	26	129.5881	0.939	69	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	129.0537	1.321	4	129.5881	0.939	69	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,5|C<3>}	129.5170	0.038	2	129.5170	0.001	2	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	128.6190	0.000	1	128.6190	0.000	1	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	129.2915	0.336	2	129.8130	0.535	4	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	130.3345	0.636	2	129.8130	0.535	4	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	130.0240	0.000	1	131.0387	0.811	3	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	131.7420	0.000	1	131.0387	0.811	3	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	131.3500	0.000	1	131.0387	0.811	3	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	130.0623	0.947	3	130.0623	0.896	3	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]2){2|H<1>,4|C<3>}	131.9820	0.000	1	131.9820	0.000	1	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(C[6a]C[6a]2){2|H<1>,4|C<3>}	132.4390	0.000	1	132.4390	0.000	1	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.3090	1.387	2	127.3090	1.925	2	129.4539	1.246	115	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH){1|C<4>,2|C<3>}	128.9125	0.766	2	128.9125	0.586	2	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC[6]H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC[6]H){1|C<4>,2|C<3>}	127.8340	0.000	1	127.8340	0.000	1	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6a]H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6a]H){1|H<1>,2|C<3>}	128.1820	0.000	1	128.1820	0.000	1	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|C<3>}	128.7870	0.000	1	128.7870	0.000	1	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH){1|C<2>,2|C<3>}	128.5001	0.811	10	128.5001	0.658	10	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){1|C<2>,2|C<3>}	126.1860	0.000	1	126.1860	0.000	1	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHS)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHS){1|C<2>,2|C<3>}	127.5265	0.078	2	127.5265	0.006	2	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NSS)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NSS){1|C<2>,2|C<3>}	130.4550	0.000	1	130.4550	0.000	1	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|I<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(NHH){1|C<2>,2|C<3>}	127.9350	0.000	1	127.9350	0.000	1	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|S<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(NHH){1|C<2>,2|C<3>}	126.1170	0.000	1	126.1170	0.000	1	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|C<3>}	128.2200	0.000	1	128.2200	0.000	1	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){3|C<3>}	126.9700	0.000	1	126.9700	0.000	1	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(NHH){1|C<4>,4|C<3>}	129.9800	0.000	1	129.9800	0.000	1	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC){1|C<4>,2|C<3>}	128.4873	1.028	3	128.4873	1.058	3	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH){1|C<4>,2|C<3>}	128.4810	0.000	1	128.4810	0.000	1	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|C<3>}	129.6985	0.951	4	129.5855	1.453	8	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|C<4>,2|C<3>}	128.7665	0.937	2	129.5855	1.453	8	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|C<4>,2|C<3>}	131.6760	0.000	1	129.5855	1.453	8	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|C<3>}	128.6810	0.000	1	129.5855	1.453	8	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(NCC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(NCC){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	131.7160	0.000	1	131.7160	0.000	1	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(NHH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	130.7690	0.000	1	130.7690	0.000	1	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NAlC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NAlC){1|C<4>,2|C<3>}	128.2745	1.508	2	128.2745	2.275	2	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCC){1|C<4>,2|C<3>}	129.6048	0.596	6	129.6048	0.355	6	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH){1|C<2>,2|C<3>}	129.7330	0.000	1	129.5012	1.790	12	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH){1|C<2>,2|C<3>}	130.8800	0.000	1	129.5012	1.790	12	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH){1|C<4>,2|C<3>}	129.3401	1.393	10	129.5012	1.790	12	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){1|C<2>,2|C<3>}	130.1260	0.000	1	129.5820	0.706	8	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,2|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){1|C<4>,2|C<3>}	127.9290	0.000	1	129.5820	0.706	8	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){1|C<4>,2|C<3>}	130.0417	0.447	4	129.5820	0.706	8	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){1|H<1>,2|C<3>}	128.8970	0.000	1	129.5820	0.706	8	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){3|C<3>}	129.5370	0.000	1	129.5820	0.706	8	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NCH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NCH){1|C<4>,2|C<3>}	130.3445	0.145	2	130.3445	0.021	2	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(NHH){2|C<4>,3|C<3>}	128.1440	0.724	2	128.1440	0.524	2	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(NHH){1|H<1>,2|C<3>}	128.5850	0.000	1	128.5850	0.000	1	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH){2|C<3>}	128.2720	0.000	1	128.2720	0.000	1	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH){2|C<3>}	128.6460	2.196	2	128.6460	4.824	2	129.0220	1.592	74	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N[5]-3:	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2)	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<2>,2|O<1>,4|C<3>}	129.9090	0.000	1	129.9090	0.000	1	129.7780	0.034	2	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N[5]-3:	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2)	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	129.6470	0.000	1	129.6470	0.000	1	129.7780	0.034	2	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2)	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	130.2438	0.585	4	130.2982	0.271	5	130.2982	0.271	5	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2)	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	130.5160	0.000	1	130.2982	0.271	5	130.2982	0.271	5	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N[6]-3:	N[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[6]C[6]2)	N[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>,3|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	130.0240	0.000	1	130.0240	0.000	1	130.0240	0.000	1	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6]-3:C[5a]-3:	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O)	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	128.9224	1.694	8	128.9224	2.870	8	128.9224	2.870	8	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a,6a]2)(C[5a]C[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a,6a]2)(C[5a]C[5a]H){1|H<1>,6|C<3>}	128.7770	1.939	2	128.7770	3.759	2	128.7770	3.759	2	129.3814	1.566	287	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[5a]2H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[5a]2H){4|C<3>}	130.5360	0.000	1	130.5360	0.000	1	130.5360	0.000	1	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5a]HH){2|C<3>}	128.9390	0.000	1	128.9390	0.000	1	128.9390	0.000	1	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3){1|C<4>,4|C<3>}	129.6910	0.000	1	128.8280	1.490	2	129.7769	3.185	17	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3){5|C<3>}	127.9650	0.000	1	128.8280	1.490	2	129.7769	3.185	17	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCHH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCHH){4|C<3>}	132.8660	0.000	1	132.8660	0.000	1	129.7769	3.185	17	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[6a]HN)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[6a]HN){4|C<3>}	125.3690	0.000	1	125.3690	0.000	1	129.7769	3.185	17	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CHHN)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CHHN){4|C<3>}	127.5670	0.000	1	127.5670	0.000	1	129.7769	3.185	17	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CH3){4|C<3>}	128.7380	0.000	1	128.7380	0.000	1	129.7769	3.185	17	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3){1|N<2>,1|O<2>,2|C<3>}	131.3572	0.239	4	130.3925	0.984	10	129.7769	3.185	17	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3){1|N<2>,3|C<3>}	129.7493	0.704	6	130.3925	0.984	10	129.7769	3.185	17	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CF3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CF3){4|C<3>}	130.0870	0.000	1	130.0870	0.000	1	129.7769	3.185	17	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Mo)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Mo){4|C<3>}	131.9690	0.000	1	131.9690	0.000	1	131.9450	1.116	9	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Pd)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Pd){4|C<3>}	130.6430	0.000	1	130.6430	0.000	1	131.9450	1.116	9	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Pt)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Pt){4|C<3>}	129.8770	0.000	1	129.8770	0.000	1	131.9450	1.116	9	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Ru)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Ru){4|C<3>}	132.6860	0.585	2	132.6860	0.343	2	131.9450	1.116	9	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2W)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2W){4|C<3>}	131.9840	0.000	1	131.9840	0.000	1	131.9450	1.116	9	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Cu)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Cu){4|C<3>}	132.5533	0.449	3	132.5533	0.202	3	131.9450	1.116	9	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|F<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){1|C<4>,2|C<3>}	129.1730	0.000	1	129.1730	0.000	1	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){3|C<3>}	128.2475	0.607	2	128.2475	0.369	2	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	129.1940	0.000	1	129.1940	0.000	1	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CF3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CF3){1|H<1>,2|C<3>}	130.6550	0.000	1	130.6550	0.000	1	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|C<4>,2|C<3>}	128.5800	0.178	3	129.1882	0.716	11	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	129.3233	0.921	7	129.1882	0.716	11	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,2|C<3>}	130.0670	0.000	1	129.1882	0.716	11	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){3|C<3>}	128.5225	0.625	4	128.5225	0.391	4	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|B<4>,2|C<3>}	129.1770	0.000	1	128.8547	0.232	6	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	128.7902	0.508	5	128.8547	0.232	6	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){1|C<4>,2|C<3>}	130.0630	0.731	5	130.0630	0.534	5	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){3|C<3>}	127.6090	0.000	1	127.6090	0.000	1	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5]HH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5]HH){2|C<3>}	129.8400	0.000	1	129.8400	0.000	1	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[6]HH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[6]HH){2|C<3>}	126.1463	0.263	3	126.1463	0.069	3	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH){2|C<3>}	129.9980	0.000	1	129.9980	0.000	1	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	130.5770	0.000	1	130.5374	0.667	33	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	130.5361	0.830	32	130.5374	0.667	33	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHHO){2|C<3>}	129.6630	0.000	1	129.6630	0.000	1	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(CH3){1|C<4>,1|N<2>,2|C<3>}	129.1842	1.212	4	129.1842	1.470	4	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN){2|C<3>}	128.8920	0.000	1	128.8920	0.000	1	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(CCHH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(CCHH){2|C<3>}	130.3370	0.000	1	130.3370	0.000	1	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CF3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CF3){2|C<3>}	128.4940	0.000	1	128.4940	0.000	1	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CFFH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CFFH){2|C<3>}	128.9330	0.000	1	128.9330	0.000	1	129.6303	1.618	79	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[3]-4:	N[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[3]C[3]2H)	N[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[3]C[3]2H){2|C<3>,4|H<1>}	132.1730	0.000	1	132.1730	0.000	1	132.1730	0.000	1	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(PC[6a]2Cu)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(PC[6a]2Cu){1|C<4>,3|C<3>}	131.0490	0.000	1	131.0490	0.000	1	131.0490	0.000	1	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:Si-4:	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(SiC3)	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a]){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(SiC3){2|C<3>}	128.0390	0.000	1	128.0390	0.000	1	127.4345	0.731	2	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:Si-4:	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Si)(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(SiC3)	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a]){1|Si<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Si)(C[6a]C[6a]H){1|Si<4>,2|C<3>,3|O<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(SiC3){2|C<3>}	126.8300	0.000	1	126.8300	0.000	1	127.4345	0.731	2	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	129.9690	0.000	1	129.9690	0.000	1	129.9690	0.000	1	129.8397	2.253	112	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:4:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5]-4:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(N[5a]N[5a]){2|C<3>,2|H<1>,3|C<4>}	130.6710	0.000	1	130.6710	0.000	1	130.6710	0.000	1	130.6710	0.000	1	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5]-4:C[5a]-3:	N[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]2Fe)(C[5a]C[5a]H)	N[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|Fe<10>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]2Fe)(C[5a]C[5a]H){2|C<3>,2|H<1>,3|C<4>}	129.9690	0.000	1	129.9690	0.000	1	129.9690	0.000	1	129.9690	0.000	1	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:2:	3:3:3:	4:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,5|C<3>}	131.8650	0.000	1	131.8650	0.000	1	131.8650	0.000	1	131.8650	0.000	1	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	2:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	N[6a]-2:N[5a]-3:N[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[5a]C[5a]2)(N[6a]C[6a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,2|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[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<2>,1|N<3>,2|H<1>}	125.9960	0.000	1	125.9960	0.000	1	125.9960	0.000	1	125.9960	0.000	1	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	2:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	N[6a]-2:N[5a]-3:N[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[5a]C[5a]2)(N[6a]C[6a]C)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,2|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[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	127.6680	0.000	1	127.6680	0.000	1	127.6680	0.000	1	127.6680	0.000	1	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2)	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|H<1>,2|N<2>}	125.8762	0.492	6	126.1369	0.406	8	126.5139	1.029	10	126.5139	1.029	10	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2)	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|H<1>,2|N<2>}	126.9190	0.004	2	126.1369	0.406	8	126.5139	1.029	10	126.5139	1.029	10	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2(C[6a]N[6a]2)	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(C[6a]N[6a]2){2|C<3>}	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2{1|C<3>,2|N<2>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|N<2>}	128.0220	0.857	2	128.0220	0.734	2	126.5139	1.029	10	126.5139	1.029	10	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])(N[6a]N[6a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]N[6a]2){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])(N[6a]N[6a]){1|N<2>,2|C<4>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3){2|C<3>,2|N<2>}	128.1430	0.000	1	128.1430	0.000	1	128.1430	0.000	1	128.1430	0.000	1	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{3|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){2|C<3>,2|N<2>}	123.2685	0.312	2	123.2685	0.097	2	123.4743	0.176	3	125.9076	3.423	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]N[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2){2|C<3>,2|H<1>,2|N<2>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]N[6a])2{1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){2|C<3>,2|N<2>}	123.8860	0.000	1	123.8860	0.000	1	123.4743	0.176	3	125.9076	3.423	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]N[6a]2)	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]N[6a]2){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|N<2>}	123.3670	0.000	1	123.3670	0.000	1	126.7187	1.703	9	125.9076	3.423	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2)	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|N<2>}	127.1057	0.419	6	127.1376	0.141	8	126.7187	1.703	9	125.9076	3.423	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2)	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2){1|H<1>,2|C<3>}	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|N<2>}	127.2335	0.286	2	127.1376	0.141	8	126.7187	1.703	9	125.9076	3.423	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C-2:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(CN)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]N[6a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[5a]C[5a,6]C[5a])(N[6a]C[6a])2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(CN){1|C<3>,1|C<4>,2|N<2>}	124.6640	0.000	1	124.6640	0.000	1	124.6640	0.000	1	125.3925	1.061	2	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:S-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(SC){2|C<3>,2|N<2>}	126.1210	0.000	1	126.1210	0.000	1	126.1210	0.000	1	125.3925	1.061	2	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<3>,2|N<2>,5|C<3>}	126.1480	0.000	1	126.1480	0.000	1	126.1480	0.000	1	125.7369	0.858	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCC){2|C<3>,2|N<2>}	125.4117	0.319	3	125.4117	0.102	3	125.3408	0.498	9	125.7369	0.858	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCH){2|C<3>,2|N<2>}	125.7550	1.452	2	125.7550	2.109	2	125.3408	0.498	9	125.7369	0.858	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCN){2|C<3>,2|N<2>}	125.5550	0.000	1	125.5550	0.000	1	125.3408	0.498	9	125.7369	0.858	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[5]H){2|C<3>,2|N<2>}	125.3400	0.000	1	125.3400	0.000	1	125.3408	0.498	9	125.7369	0.858	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(COO){2|C<3>,2|N<2>}	124.7135	0.691	2	124.7135	0.477	2	125.3408	0.498	9	125.7369	0.858	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2){1|S<2>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H){1|H<1>,2|N<2>,4|C<3>}	126.2210	0.000	1	126.2210	0.000	1	126.2210	0.000	1	125.7369	0.858	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(NCH){2|C<3>,2|N<2>}	127.3025	0.491	2	127.3025	0.242	2	126.6270	1.490	3	125.7369	0.858	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]I)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2){1|H<1>,1|I<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]I)(NOO){2|C<3>,2|N<2>}	125.2760	0.000	1	125.2760	0.000	1	126.6270	1.490	3	125.7369	0.858	14	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CFFH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CFFH){2|C<3>,2|N<2>}	127.7410	0.000	1	127.7410	0.000	1	126.7476	0.392	5	127.0115	0.732	6	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CHHO){2|C<3>,2|N<2>}	126.8280	0.000	1	126.8280	0.000	1	126.7476	0.392	5	127.0115	0.732	6	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCHH){2|C<3>,2|N<2>}	126.5345	0.255	2	126.5345	0.065	2	126.7476	0.392	5	127.0115	0.732	6	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CHHO){2|C<3>,2|N<2>}	126.1000	0.000	1	126.1000	0.000	1	126.7476	0.392	5	127.0115	0.732	6	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]N[6a]2)	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]N[6a]2){2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){2|H<1>,2|N<2>}	128.3310	0.000	1	128.3310	0.000	1	128.3310	0.000	1	127.0115	0.732	6	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|N<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<2>,3|C<3>}	122.9430	0.000	1	122.9430	0.000	1	127.0515	5.502	6	127.6420	1.428	39	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|H<1>}	127.9340	0.000	1	127.9340	0.000	1	127.0515	5.502	6	127.6420	1.428	39	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H)2{1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|C<3>,1|N<3>,3|H<1>,3|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<3>,1|H<1>,1|N<2>}	127.8580	1.555	4	127.8580	2.417	4	127.0515	5.502	6	127.6420	1.428	39	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|H<1>}	127.6085	0.135	2	127.6085	0.018	2	127.7493	0.759	33	127.6420	1.428	39	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]N[6a])	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]N[6a]){1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|H<1>}	126.5655	0.781	2	126.5655	0.611	2	127.7493	0.759	33	127.6420	1.428	39	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)2	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<3>,1|H<1>,1|N<2>}	127.8407	0.857	29	127.8407	0.735	29	127.7493	0.759	33	127.6420	1.428	39	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	128.8160	0.000	1	128.8160	0.000	1	129.0477	1.801	6	129.0747	1.506	7	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,1|O<2>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	129.0940	1.495	5	129.0940	2.235	5	129.0477	1.801	6	129.0747	1.506	7	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCH){1|N<2>,3|C<3>}	129.2370	0.000	1	129.2370	0.000	1	129.2370	0.000	1	129.0747	1.506	7	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:2:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH){1|C<3>,1|N<2>,2|H<1>}	128.9470	0.000	1	128.9470	0.000	1	128.9470	0.000	1	128.9470	0.000	1	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|N<2>,1|N<3>,2|C<3>}	125.7622	0.554	5	125.7622	0.307	5	125.7622	0.307	5	124.7141	2.726	29	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	124.0765	0.132	2	124.0765	0.017	2	124.0765	0.017	2	124.7141	2.726	29	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	126.9570	0.000	1	126.9570	0.000	1	123.8813	1.571	10	124.7141	2.726	29	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	123.6800	0.000	1	123.6800	0.000	1	123.8813	1.571	10	124.7141	2.726	29	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	124.3980	0.000	1	124.3980	0.000	1	123.8813	1.571	10	124.7141	2.726	29	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){2|C<3>,2|N<2>}	123.2732	0.647	6	123.3969	0.455	7	123.8813	1.571	10	124.7141	2.726	29	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){2|C<3>,2|N<2>}	124.1390	0.000	1	123.3969	0.455	7	123.8813	1.571	10	124.7141	2.726	29	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|N<2>,3|C<3>}	121.6145	0.405	2	121.6145	0.164	2	121.6145	0.164	2	124.7141	2.726	29	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	123.9740	0.000	1	123.9740	0.000	1	124.5060	0.566	2	124.7141	2.726	29	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	125.0380	0.000	1	125.0380	0.000	1	124.5060	0.566	2	124.7141	2.726	29	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|N<2>,2|H<1>,3|C<3>}	126.5390	0.000	1	126.5390	0.000	1	126.5390	0.000	1	124.7141	2.726	29	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a,6]-3:N[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|N<2>,2|H<1>,3|C<3>}	123.8330	0.000	1	123.8330	0.000	1	123.8330	0.000	1	124.7141	2.726	29	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	126.0170	0.421	2	126.0170	0.178	2	126.3863	1.356	6	124.7141	2.726	29	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]N[6a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]N[6a]){1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	127.2810	1.112	2	127.2810	1.236	2	126.3863	1.356	6	124.7141	2.726	29	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)2	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)2{1|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	125.8610	1.715	2	125.8610	2.943	2	126.3863	1.356	6	124.7141	2.726	29	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN){1|N<2>,3|C<3>}	124.7860	0.000	1	124.7860	0.000	1	124.7860	0.000	1	126.6077	2.506	3	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){2|H<1>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	127.6490	0.000	1	127.6490	0.000	1	127.6490	0.000	1	126.6077	2.506	3	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,2|N<2>,3|C<3>}	127.3880	0.000	1	127.3880	0.000	1	127.3880	0.000	1	126.6077	2.506	3	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	123.3710	0.366	2	123.3710	0.134	2	124.3460	2.919	3	125.8639	3.549	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	126.2960	0.000	1	126.2960	0.000	1	124.3460	2.919	3	125.8639	3.549	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	125.4110	0.218	2	125.4110	0.047	2	125.6710	0.227	3	125.8639	3.549	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|O<2>,2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	126.1910	0.000	1	126.1910	0.000	1	125.6710	0.227	3	125.8639	3.549	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	125.5930	0.000	1	125.5930	0.000	1	125.5930	0.000	1	125.8639	3.549	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a,6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a]){9|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	124.7640	0.000	1	124.7640	0.000	1	124.7640	0.000	1	125.8639	3.549	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(CCO){1|N<2>,5|C<3>}	124.7680	0.000	1	124.7680	0.000	1	124.7680	0.000	1	125.8639	3.549	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]N)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(NHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]N){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(NHS){1|N<2>,5|C<3>}	126.9470	0.000	1	126.9470	0.000	1	126.9470	0.000	1	125.8639	3.549	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	123.4580	0.000	1	123.4580	0.000	1	123.4580	0.000	1	125.8639	3.549	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	125.9070	0.000	1	125.9070	0.000	1	125.9070	0.000	1	125.8639	3.549	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	128.7445	0.866	2	128.7445	0.750	2	128.7445	0.750	2	125.8639	3.549	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|N<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	129.4560	0.000	1	129.4560	0.000	1	129.4560	0.000	1	125.8639	3.549	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[5a]C[5a]C)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[5a]C[5a]C){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	125.3900	0.000	1	125.3900	0.000	1	125.3900	0.000	1	125.8639	3.549	16	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCHH){1|N<2>,3|C<3>}	126.3580	0.000	1	126.3580	0.000	1	125.9245	0.205	4	125.4562	0.951	8	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[5]HH){1|N<2>,3|C<3>}	125.4230	0.000	1	125.4230	0.000	1	125.9245	0.205	4	125.4562	0.951	8	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]CH){1|N<2>,3|C<3>}	126.2530	0.000	1	126.2530	0.000	1	125.9245	0.205	4	125.4562	0.951	8	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3){1|N<2>,3|C<3>}	125.6640	0.000	1	125.6640	0.000	1	125.9245	0.205	4	125.4562	0.951	8	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C[5]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C[5])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[5]C[5]2H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	125.9730	0.000	1	125.9730	0.000	1	125.9730	0.000	1	125.4562	0.951	8	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C)2{1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<4>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	125.2050	1.099	2	125.2050	1.207	2	125.2050	1.207	2	125.4562	0.951	8	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:N[6a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[5a]C[5a]C)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[5a]C[5a]C){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	123.5690	0.000	1	123.5690	0.000	1	123.5690	0.000	1	125.4562	0.951	8	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5,5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5,5a]C[6a])(N[5a]C[5,5a])(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5,5a]C[6a])(N[5a]C[5,5a])(H){4|C<3>}	122.3390	0.000	1	122.3390	0.000	1	122.3390	0.000	1	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<2>,3|C<3>}	124.9840	0.000	1	124.1345	1.443	2	124.1345	1.443	2	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<3>,3|C<3>}	123.2850	0.000	1	124.1345	1.443	2	124.1345	1.443	2	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	123.8465	0.114	2	123.8465	0.013	2	125.8434	0.904	27	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	126.0350	0.000	1	126.0350	0.000	1	125.8434	0.904	27	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	126.4930	0.000	1	126.4930	0.000	1	125.8434	0.904	27	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	126.6450	0.000	1	126.6450	0.000	1	125.8434	0.904	27	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|F<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2{1|H<1>,1|N<2>,2|F<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	124.7100	0.000	1	124.7100	0.000	1	125.8434	0.904	27	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	126.0380	0.000	2	126.0380	0.000	2	125.8434	0.904	27	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	126.1297	0.666	3	126.0395	0.775	13	125.8434	0.904	27	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	126.2348	0.888	4	126.0395	0.775	13	125.8434	0.904	27	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	125.8642	1.067	6	126.0395	0.775	13	125.8434	0.904	27	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	126.3210	0.000	1	125.9347	0.641	6	125.8434	0.904	27	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	125.8574	0.870	5	125.9347	0.641	6	125.8434	0.904	27	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a,6a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a,6a]C[5a]){1|N<2>,3|H<1>,7|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	127.8580	0.632	2	127.8580	0.400	2	127.5357	0.512	3	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a,6a]C[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a,6a]C[5a]){2|N<2>,3|H<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	126.8910	0.000	1	126.8910	0.000	1	127.5357	0.512	3	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|S<4>,2|C<3>}	122.3180	0.000	1	122.3180	0.000	1	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){4|C<3>}	124.9570	0.000	1	124.9570	0.000	1	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	127.4720	0.461	2	127.4720	0.213	2	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	126.5395	0.654	2	126.5395	0.428	2	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	126.4760	0.832	2	126.4760	0.691	2	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	127.0453	1.473	3	127.0453	2.170	3	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	126.8107	0.560	3	126.8107	0.313	3	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	127.0285	0.714	4	127.0285	0.509	4	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	125.2067	2.720	3	125.2067	7.396	3	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	125.6780	0.000	1	125.6780	0.000	1	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	125.0440	0.000	1	125.0440	0.000	1	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	127.3090	0.000	1	126.5225	1.237	2	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	125.7360	0.000	1	126.5225	1.237	2	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	126.0140	0.000	1	126.7451	1.357	50	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|S<4>,2|C<3>}	126.6080	0.000	1	126.7451	1.357	50	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	126.7990	1.076	3	126.7451	1.357	50	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	126.7433	1.224	43	126.7451	1.357	50	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	127.6090	0.000	1	126.7451	1.357	50	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	126.6660	0.000	1	126.7451	1.357	50	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	127.0700	0.742	2	127.0700	0.551	2	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|N<2>,3|H<1>}	C[6a](C[6a]N[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	126.4800	0.000	1	126.4800	0.000	1	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	125.9050	0.000	1	125.9050	0.000	1	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	124.7440	0.000	1	124.7440	0.000	1	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|H<1>,1|N<2>,2|C<3>,3|N<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|N<3>}	125.4040	0.000	1	125.3140	0.016	2	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|N<3>}	125.2240	0.000	1	125.3140	0.016	2	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	125.3510	0.000	1	125.3510	0.000	1	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){3|C<3>}	125.0460	0.000	1	125.0460	0.000	1	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	129.9340	0.000	1	129.9340	0.000	1	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	126.4553	0.420	3	126.4553	0.176	3	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<3>,2|N<2>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	128.2965	2.470	2	128.2965	6.101	2	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	128.2572	0.642	4	128.1291	0.761	40	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|N<2>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	128.1129	0.922	34	128.1291	0.761	40	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	128.1480	0.593	2	128.1291	0.761	40	127.0610	1.983	130	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(S)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<2>,1|S<1>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(S){2|C<3>,2|H<1>}	125.0690	0.000	1	125.0690	0.000	1	125.6505	0.676	2	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(S)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(S){1|C<4>,2|C<3>}	126.2320	0.000	1	126.2320	0.000	1	125.6505	0.676	2	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]C[5a]Br)(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(O)	N[5a](C[5a]C[5a]Br)(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(O){1|Br<1>,3|C<3>}	122.9315	0.508	2	122.9315	0.258	2	123.5755	2.392	4	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]C[5a]H)(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(O)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|F<1>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(O){1|H<1>,3|C<3>}	125.8410	0.000	1	125.8410	0.000	1	123.5755	2.392	4	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(O[5a]N[5a])(O)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(O[5a]N[5a])(O){3|C<3>}	122.5980	0.000	1	122.5980	0.000	1	123.5755	2.392	4	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:S[5a]-2:S-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(S)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|O<1>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(S){1|O<1>,3|C<3>}	122.9438	1.980	5	122.9438	3.921	5	122.9438	3.921	5	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	126.7270	0.931	8	126.7270	0.867	8	126.7270	0.867	8	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a]2){1|N<2>,4|H<1>,6|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	127.7020	0.535	2	127.7020	0.286	2	127.7020	0.286	2	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:Br-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]Br)(C[5a]N[5a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(Br)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]Br)(C[5a]N[5a]S){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|Br<1>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(Br){1|S<2>,2|C<3>}	128.5978	0.492	4	128.5978	0.242	4	128.5978	0.242	4	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,4|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	126.3705	0.930	2	126.3705	0.865	2	126.3705	0.865	2	126.6610	2.711	190	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(NC[6a])	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|C<3>,1|N<4>,1|O<1>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(NC[6a]){1|O<1>,2|C<3>,2|C<4>}	125.7410	0.000	1	125.7410	0.000	1	125.7410	0.000	1	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(OC[6a])	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(OC[6a]){1|C<4>,3|C<3>}	126.7870	0.000	1	126.7870	0.000	1	126.5203	7.308	4	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OH){1|C<4>,2|C<3>}	122.6200	0.000	1	122.6200	0.000	1	126.5203	7.308	4	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OC)	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2){1|Ge<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OC){1|Ge<4>,1|O<1>,2|C<3>}	128.1970	0.000	1	128.1970	0.000	1	126.5203	7.308	4	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OGe)	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2){1|Ge<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OGe){1|Ge<4>,1|O<1>,2|C<3>}	128.4770	0.000	1	128.4770	0.000	1	126.5203	7.308	4	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(SS)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(SS){2|C<3>,2|H<1>}	127.2865	0.603	2	127.2865	0.364	2	126.6391	1.522	15	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SS)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SS){3|C<3>}	125.7955	0.354	2	125.7955	0.126	2	126.6391	1.522	15	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC){3|C<3>}	124.7810	0.000	1	124.9110	2.239	3	126.6391	1.522	15	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC){3|C<3>}	126.4680	0.000	1	124.9110	2.239	3	126.6391	1.522	15	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC){3|C<3>}	123.4840	0.000	1	124.9110	2.239	3	126.6391	1.522	15	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|S<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC){1|C<4>,2|C<3>}	127.4156	0.382	7	127.4156	0.146	7	126.6391	1.522	15	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|S<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC){1|C<4>,2|C<3>}	126.7810	0.000	1	126.7810	0.000	1	126.6391	1.522	15	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:Se-2:	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(SeSe)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Se<2>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(SeSe){2|C<3>,2|H<1>}	128.3910	0.320	2	128.3910	0.102	2	128.3910	0.102	2	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:S[5a]-2:N-2:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC){1|O<1>,3|C<3>}	121.3010	0.000	1	121.3010	0.000	1	121.6158	0.803	11	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:S[5a]-2:N-2:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a])	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a]){1|O<1>,3|C<3>}	121.3380	0.000	1	121.3380	0.000	1	121.6158	0.803	11	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:S[5a]-2:N-2:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[5a])	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[5a]){1|O<1>,3|C<3>}	122.6930	0.000	1	122.6930	0.000	1	121.6158	0.803	11	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:S[5a]-2:N-2:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a])	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a]){1|O<1>,3|C<3>}	120.8967	1.100	3	120.8967	1.210	3	121.6158	0.803	11	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:S[5a]-2:N-2:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NN)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NN){1|O<1>,3|C<3>}	121.9504	0.735	5	121.9504	0.540	5	121.6158	0.803	11	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]Br)(C[5a]N[5a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]Br)(C[5a]N[5a]S){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|Br<1>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SC){1|Br<1>,2|C<3>}	126.8670	0.075	4	126.8670	0.006	4	126.8670	0.006	4	125.2279	7.291	37	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCH){4|C<3>}	125.2630	0.000	1	125.2630	0.000	1	125.2630	0.000	1	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<4>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.1570	0.000	1	126.1358	1.911	54	127.5099	3.846	104	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	127.2710	0.000	1	126.1358	1.911	54	127.5099	3.846	104	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	126.4527	0.720	3	126.1358	1.911	54	127.5099	3.846	104	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.0928	1.433	49	126.1358	1.911	54	127.5099	3.846	104	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.6020	0.000	1	129.0422	1.654	46	127.5099	3.846	104	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	130.6207	1.500	4	129.0422	1.654	46	127.5099	3.846	104	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	128.3137	0.925	4	129.0422	1.654	46	127.5099	3.846	104	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	129.0270	1.168	35	129.0422	1.654	46	127.5099	3.846	104	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|N<3>,6|C<3>}	128.8290	0.775	2	129.0422	1.654	46	127.5099	3.846	104	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|N<3>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.3450	0.000	1	126.3450	0.000	1	127.5099	3.846	104	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	128.2920	0.000	1	129.1353	0.595	3	127.5099	3.846	104	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	129.5570	0.351	2	129.1353	0.595	3	127.5099	3.846	104	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NC[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NC[5]H){4|C<3>}	126.2195	1.025	2	126.2195	1.050	2	127.1407	3.071	3	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NC[6a]H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NC[6a]H){1|N<2>,3|C<3>}	128.9830	0.000	1	128.9830	0.000	1	127.1407	3.071	3	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	129.7050	0.000	1	129.7050	0.000	1	129.7050	0.000	1	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:B-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(BC[5a]N)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|B<3>,1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(BC[5a]N){4|C<3>}	125.8080	0.000	1	125.8080	0.000	1	129.3880	25.633	2	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:B-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]B)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(BC[6a]N)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]B)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|B<3>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(BC[6a]N){2|C<3>,2|H<1>}	132.9680	0.000	1	132.9680	0.000	1	129.3880	25.633	2	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	127.9890	0.000	1	127.9890	0.000	1	129.0324	1.668	11	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCO){2|C<3>,2|H<1>}	129.4673	1.171	8	129.4673	1.372	8	129.0324	1.668	11	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]O){2|C<3>,2|H<1>}	128.6830	0.000	1	128.6830	0.000	1	129.0324	1.668	11	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCH){1|O<1>,3|C<3>}	126.9460	0.000	1	126.9460	0.000	1	129.0324	1.668	11	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(NHH){1|C<4>,3|C<3>}	125.4090	0.040	2	125.4090	0.002	2	128.3017	11.158	4	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|H<1>,1|N<2>,2|C<3>,3|N<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(NOO){1|H<1>,1|N<3>,2|C<3>}	131.1640	0.000	1	131.1945	0.002	2	128.3017	11.158	4	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(NOO){1|H<1>,1|N<3>,2|C<3>}	131.2250	0.000	1	131.1945	0.002	2	128.3017	11.158	4	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:P-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,1|P<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCC){2|C<3>,2|H<1>}	127.5550	0.000	1	127.5550	0.000	1	128.3273	0.883	7	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:P-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2){2|C<3>,2|H<1>}	128.2092	0.833	5	128.2092	0.694	5	128.3273	0.883	7	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:P-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,1|P<3>,3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[5a]C){2|C<3>,2|H<1>}	129.6900	0.000	1	129.6900	0.000	1	128.3273	0.883	7	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:S[5a]-2:C-3:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(CCC)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(CCC){1|O<1>,3|C<3>}	123.6710	0.000	1	123.6710	0.000	1	123.1315	1.513	4	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:S[5a]-2:C-3:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(CCH){1|O<1>,3|C<3>}	122.9517	1.441	3	122.9517	2.075	3	123.1315	1.513	4	127.5881	4.513	137	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](B[5a]N[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(N[5a]N[5a])(CC3)	N[5a](B[5a]N[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]B[5a]C[6a])(N[5a]N[5a])(CC3){1|Cl<1>,3|C<3>}	129.0930	0.000	1	129.0930	0.000	1	129.0930	0.000	1	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|F<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2{1|C<4>,1|N<2>,2|F<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CCCH){4|C<3>}	128.3640	0.000	1	128.3640	0.000	1	127.6010	0.542	3	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3){4|C<3>}	127.5440	0.000	1	127.5440	0.000	1	127.6010	0.542	3	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CH3){4|C<3>}	126.8950	0.000	1	126.8950	0.000	1	127.6010	0.542	3	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CF3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(CF3){4|C<3>}	128.0260	0.065	2	128.0260	0.004	2	128.0260	0.004	2	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Br<1>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|Br<1>,1|N<3>,2|C<3>}	124.7343	0.241	7	124.7343	0.058	7	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	128.9700	0.000	1	128.9700	0.000	1	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|C<2>,1|N<3>,2|C<3>}	126.1485	0.541	2	126.5003	0.518	3	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	127.2040	0.000	1	126.5003	0.518	3	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCCO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CCCO){2|C<3>,2|H<1>}	132.4320	0.000	1	132.4320	0.000	1	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	125.4454	0.198	10	125.4454	0.039	10	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	128.3970	0.000	1	128.3970	0.000	1	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	127.4405	0.668	6	127.4405	0.447	6	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|N<3>}	124.7010	0.000	1	124.7010	0.000	1	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,1|O<2>,2|C<3>}	128.3500	0.000	1	128.3500	0.000	1	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN){3|C<3>}	124.1110	0.000	1	124.1110	0.000	1	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHO){3|C<3>}	125.6380	0.000	1	125.6380	0.000	1	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){3|C<3>}	126.0535	0.312	2	126.0535	0.097	2	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){3|C<3>}	126.2180	0.000	1	126.4293	0.208	3	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|H<1>,2|C<3>,2|C<4>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){3|C<3>}	126.9530	0.000	1	126.4293	0.208	3	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){3|C<3>}	126.1170	0.000	1	126.4293	0.208	3	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	124.8430	0.000	1	124.8430	0.000	1	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	128.2677	0.731	3	128.2677	0.534	3	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|O<2>,2|C<3>}	129.0250	0.000	1	129.0250	0.000	1	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	127.1520	0.000	1	127.1520	0.000	1	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	128.8610	0.143	2	128.3520	0.770	4	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	127.8430	1.120	2	128.3520	0.770	4	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CFFH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CFFH){1|H<1>,1|O<1>,2|C<3>}	129.3470	0.000	1	129.3470	0.000	1	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|S<1>,2|C<3>}	125.3850	0.000	1	125.3850	0.000	1	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|S<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|S<2>,2|C<3>}	126.7810	0.000	1	126.7810	0.000	1	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|S<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CHHO){1|S<2>,2|C<3>}	127.7318	0.820	4	127.7318	0.673	4	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|S<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CN[5a]HH){1|S<2>,2|C<3>}	127.7225	0.637	2	127.7225	0.406	2	126.7166	2.775	57	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[5a]2Pd)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[5a]2Pd){2|C<3>,2|C<4>}	125.3210	0.000	1	125.3210	0.000	1	129.1569	3.016	12	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCCO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCCO){2|C<3>,2|H<1>}	129.5270	0.000	1	129.5270	0.000	1	129.1569	3.016	12	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6]2Pd)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|N<2>,1|P<4>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6]2Pd){2|C<3>,2|H<1>}	128.7350	0.000	1	128.7350	0.000	1	129.1569	3.016	12	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PPdCO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,1|P<4>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PPdCO){2|C<3>,2|H<1>}	128.8780	1.273	2	128.8780	1.620	2	129.1569	3.016	12	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCHO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|P<4>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCHO){2|C<3>,2|H<1>}	129.7820	0.000	1	129.7820	0.000	1	129.1569	3.016	12	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2C){2|C<3>,2|H<1>}	128.2620	0.000	1	128.2620	0.000	1	129.1569	3.016	12	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2Ir)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|P<4>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2Ir){2|C<3>,2|H<1>}	132.0530	0.000	1	132.0530	0.000	1	129.1569	3.016	12	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PPdCO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|P<4>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PPdCO){2|C<3>,2|H<1>}	129.7960	0.583	2	129.7960	0.339	2	129.1569	3.016	12	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2Pd)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,1|P<4>,3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2Pd){2|C<3>,2|H<1>}	129.4275	2.344	2	129.4275	5.495	2	129.1569	3.016	12	127.2091	3.437	75	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a,6]N[5a,6]Si[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a,6]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a,6]C[6a])(C[5a]N[5a,6]H)(H)	N[5a](B[5a,6]N[5a,6]Si[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6a](N[5a]B[5a,6]C[5a])(C[6a]C[6a]C)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a,6]C[6a])(C[5a]N[5a,6]H)(H){1|Si<4>,3|C<3>}	120.0620	0.000	1	120.0620	0.000	1	120.0620	0.000	1	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	120.1715	0.638	4	120.1715	0.407	4	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Al)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Al)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Al<4>,3|C<3>}	121.6455	0.134	2	121.6455	0.018	2	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Be)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Be)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Be<3>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Be<3>,3|C<3>}	117.6068	2.014	4	117.6068	4.058	4	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Br)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Br)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Br<1>,3|C<3>}	122.0370	0.667	4	122.0370	0.445	4	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	120.9856	0.907	10	120.6357	2.177	50	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	120.5482	1.583	40	120.6357	2.177	50	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,3|C<3>}	121.5465	1.322	2	121.5465	1.747	2	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Fe<8>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Fe<8>,3|C<3>}	118.2845	0.793	2	118.2845	0.628	2	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ga<3>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ga<3>,3|C<3>}	122.4643	0.516	4	121.9610	0.817	10	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ga<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ga<4>,3|C<3>}	121.6255	0.986	6	121.9610	0.817	10	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ge<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<2>,3|C<3>}	118.8150	0.474	2	119.3303	3.862	12	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<3>,3|C<3>}	118.8126	1.889	8	119.3303	3.862	12	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ge<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<4>,3|C<3>}	121.9165	1.105	2	119.3303	3.862	12	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]I)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]I)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|I<1>,3|C<3>}	122.2640	0.416	4	122.2640	0.173	4	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]In)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]In)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|In<3>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|In<3>,3|C<3>}	120.6287	1.085	4	120.6287	1.176	4	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Li)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Li)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Li<3>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Li<3>,3|C<3>}	119.7655	0.208	4	119.7655	0.043	4	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Mn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Mn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Mn<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Mn<4>,3|C<3>}	120.4680	1.014	2	119.8233	1.761	3	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Mn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Mn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Mn<6>,3|C<3>}	118.5340	0.000	1	119.8233	1.761	3	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<2>,3|C<3>}	120.6072	2.288	4	119.6091	4.985	28	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	119.4427	2.229	24	119.6091	4.985	28	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N[4])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[4])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	116.7350	2.464	2	116.7350	6.069	2	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Si<4>,1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	116.9795	1.832	4	116.9795	3.356	4	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ge<2>,1|H<1>,3|C<3>,3|C<4>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	119.6990	1.340	3	119.9977	0.755	7	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ge<4>,1|H<1>,3|C<3>,3|C<4>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	120.2218	0.397	4	119.9977	0.755	7	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|O<2>,3|C<3>}	121.8808	0.809	4	121.8340	1.055	6	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|O<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|O<3>,3|C<3>}	121.7405	1.814	2	121.8340	1.055	6	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|P<2>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<2>,3|C<3>}	121.9024	1.061	8	121.6383	1.077	12	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|P<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,3|C<3>}	121.1103	0.875	4	121.6383	1.077	12	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]P[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]P[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|P<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,3|C<3>}	117.2295	1.755	4	117.2295	3.081	4	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Re)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Re)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Re<6>,3|C<3>}	119.7010	0.000	1	119.7010	0.000	1	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Sc)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Sc)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Sc<9>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sc<9>,3|C<3>}	117.1330	1.356	2	117.1330	1.839	2	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Si<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Si<2>,3|C<3>}	121.6995	1.227	2	118.1948	11.343	6	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Si<4>,3|C<3>}	116.4425	2.474	4	118.1948	11.343	6	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Sn<3>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sn<3>,3|C<3>}	121.1480	0.000	1	118.5783	4.761	24	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Sn<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sn<2>,3|C<3>}	120.6318	1.404	4	118.5783	4.761	24	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Sn<3>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sn<3>,3|C<3>}	118.4697	3.146	3	118.5783	4.761	24	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Sn<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sn<4>,3|C<3>}	117.9248	1.888	16	118.5783	4.761	24	119.9736	4.514	201	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6,6a]C[6a,6a])(N[5a]C[5a,6]C[6a])(O)	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a,6a])(N[5a]C[5a,6]C[6a])(O){6|C<3>}	125.3800	0.000	1	125.3800	0.000	1	125.3800	0.000	1	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(H){1|C<4>,5|C<3>}	123.0710	0.000	1	123.0710	0.000	1	123.0710	0.000	1	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){2|C<3>,2|C<4>}	126.1930	0.000	1	126.1930	0.000	1	124.8010	2.699	11	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[5,6,6a]H)(C[6a]C[6a]N[5a])	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[5,6,6a]H)(C[6a]C[6a]N[5a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|N<3>,3|C<3>}	122.4170	0.468	2	122.4170	0.219	2	124.8010	2.699	11	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|N<3>,3|C<3>}	126.8430	0.341	2	126.8430	0.116	2	124.8010	2.699	11	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|N<3>,3|C<3>}	123.9820	0.378	2	124.6830	0.986	6	124.8010	2.699	11	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<5>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|N<3>,3|C<3>}	125.8525	0.609	2	124.6830	0.986	6	124.8010	2.699	11	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Rh<5>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|N<3>,3|C<3>}	124.2145	0.511	2	124.6830	0.986	6	124.8010	2.699	11	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H){1|N<2>,5|C<3>}	127.6050	0.000	1	127.6050	0.000	1	124.8146	1.576	8	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H){1|N<2>,5|C<3>}	124.4160	0.596	7	124.4160	0.356	7	124.8146	1.576	8	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	122.3620	0.000	1	122.3620	0.000	1	124.0527	6.303	20	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){4|C<3>}	122.1810	2.628	2	122.1810	6.904	2	124.0527	6.303	20	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	126.9835	0.101	2	126.3393	1.250	3	124.0527	6.303	20	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	125.0510	0.000	1	126.3393	1.250	3	124.0527	6.303	20	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	119.2760	0.000	2	119.2760	0.000	2	124.0527	6.303	20	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){4|C<3>}	125.9890	0.000	1	125.9890	0.000	1	124.0527	6.303	20	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	124.2502	0.892	4	124.4160	0.734	5	124.0527	6.303	20	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	125.0790	0.000	1	124.4160	0.734	5	124.0527	6.303	20	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|H<1>,2|O<2>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){4|C<3>}	125.4420	0.000	1	125.0903	0.429	3	124.0527	6.303	20	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){4|C<3>}	124.9145	0.820	2	125.0903	0.429	3	124.0527	6.303	20	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	126.3730	0.000	1	126.3730	0.000	1	124.0527	6.303	20	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	126.8250	0.000	1	126.8250	0.000	1	124.0527	6.303	20	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	120.2220	0.000	1	120.2220	0.000	1	124.0527	6.303	20	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(I){4|C<3>}	127.7750	0.000	1	127.7750	0.000	1	127.7750	0.000	1	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(O){4|C<3>}	121.2110	0.000	1	122.9840	6.287	2	122.9840	6.287	2	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(O){4|C<3>}	124.7570	0.000	1	122.9840	6.287	2	122.9840	6.287	2	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	123.4670	0.000	1	123.4670	0.000	1	124.0380	0.528	3	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	124.3235	0.753	2	124.3235	0.567	2	124.0380	0.528	3	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){4|C<3>}	124.5990	0.000	2	124.5990	0.000	2	124.5990	0.000	2	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a]-3:N[5a,6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[5a]C[5a]H){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H){1|H<1>,8|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<3>,3|C<3>}	123.0440	0.000	1	123.0440	0.000	1	123.0440	0.000	1	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(H){1|O<1>,5|C<3>}	124.2250	0.000	1	124.2250	0.000	1	125.2383	0.468	21	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(H){2|C<3>,2|C<4>,3|H<1>}	125.3030	1.113	2	125.3030	1.239	2	125.2383	0.468	21	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C[6a])(H){1|H<1>,1|S<2>,3|C<3>}	125.2874	0.643	18	125.2874	0.414	18	125.2383	0.468	21	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a,6]Ir)(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]N[5a,6]Ir)(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|Ir<6>,1|H<1>,4|C<3>}	131.2287	0.716	6	131.2287	0.513	6	126.9063	31.574	10	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a,6]Pd)(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]N[5a,6]Pd)(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|Pd<4>,1|H<1>,4|C<3>}	120.4228	0.674	4	120.4228	0.454	4	126.9063	31.574	10	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]C[5a,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){2|H<1>,2|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O){1|O<1>,5|C<3>}	123.3610	0.256	2	123.3610	0.066	2	123.6778	0.240	4	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(N[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]C[5a,6a]O)2(C[6a]C[6a]2){2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]F)2(N[5a]C[5a]2){2|F<1>,2|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a])(O){1|O<1>,5|C<3>}	123.9945	0.503	2	123.9945	0.253	2	123.6778	0.240	4	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a])(Br)	N[5a](C[5a]C[5a]Br)(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a])(Br){1|O<1>,4|C<3>}	128.9835	1.351	2	128.9835	1.826	2	128.9835	1.826	2	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|C<4>,5|C<3>}	123.1594	0.244	5	123.1594	0.059	5	123.7289	1.711	15	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	122.8040	0.371	2	122.8040	0.137	2	123.7289	1.711	15	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){2|N<3>,4|C<3>}	123.1743	0.403	3	123.1743	0.163	3	123.7289	1.711	15	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|S<2>,5|C<3>}	123.8125	2.345	2	123.8125	5.501	2	123.7289	1.711	15	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	125.7933	0.592	3	125.7933	0.350	3	123.7289	1.711	15	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|O<1>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6a])(O){1|S<1>,1|S<2>,3|C<3>}	118.5890	0.000	1	118.5890	0.000	1	118.5890	0.000	1	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5,5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5,5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5,5a,6]N[5,5a,6]C[5,5,6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5,5a,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5,5a,6]N[5,5a,6]C[5,5,6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	124.8125	0.926	2	124.8125	0.857	2	124.8125	0.857	2	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5,5a]N[5,5a]C[3x5])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5,5a]N[5,5a]C[3x5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	123.6290	0.000	1	123.6290	0.000	1	123.8157	0.660	10	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5,5a]N[5,5a]C[5,5])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5,5a]N[5,5a]C[5,5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	123.2750	0.000	1	123.2110	0.008	2	123.8157	0.660	10	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5,5a]N[5,5a]C[5,5])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5,5a]N[5,5a]C[5,5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	123.1470	0.000	1	123.2110	0.008	2	123.8157	0.660	10	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,5|C<3>}	124.4030	0.000	1	124.0151	0.814	7	123.8157	0.660	10	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	124.1720	0.000	1	124.0151	0.814	7	123.8157	0.660	10	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	124.0805	0.606	2	124.0151	0.814	7	123.8157	0.660	10	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	122.1710	0.000	1	124.0151	0.814	7	123.8157	0.660	10	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5,5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<4>,4|C<3>}	124.5995	0.500	2	124.0151	0.814	7	123.8157	0.660	10	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|Br<1>,1|O<1>,2|C<4>,3|C<3>}	124.5370	0.000	1	124.3098	0.651	14	124.3426	0.656	18	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	124.4262	0.824	10	124.3098	0.651	14	124.3426	0.656	18	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[3x6])(N[5a]C[5a]C[6a])(O){1|O<1>,3|C<3>,3|C<4>}	123.8460	0.872	3	124.3098	0.651	14	124.3426	0.656	18	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<4>,4|C<3>}	123.8190	0.997	2	124.4575	0.875	4	124.3426	0.656	18	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6,6]N[5a,6,6]C[4x6])(N[5a]C[5a]C[6a])(O){1|O<1>,3|C<3>,3|C<4>}	125.0960	0.033	2	124.4575	0.875	4	124.3426	0.656	18	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]N[5a,6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6]C[5a,6]N[5a,6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	123.0350	0.665	2	123.0350	0.442	2	124.4031	1.394	28	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a]C[6a])(O){1|O<1>,5|C<3>}	124.3410	0.000	1	124.3410	0.000	1	124.4031	1.394	28	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]N[5a,6]C[5,6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6]N[5a,6]C[5,6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,5|C<3>}	123.5275	1.165	2	123.5993	0.694	3	124.4031	1.394	28	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]N[5a,6]C[5,6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6]N[5a,6]C[5,6])(N[5a]C[5a]C[6a])(O){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	123.7430	0.000	1	123.5993	0.694	3	124.4031	1.394	28	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	124.8720	0.000	1	124.4270	1.792	5	124.4031	1.394	28	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	126.3670	0.000	1	124.4270	1.792	5	124.4031	1.394	28	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	123.7780	0.000	1	124.4270	1.792	5	124.4031	1.394	28	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6]N[5a,6]C[6,6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	123.5590	1.130	2	124.4270	1.792	5	124.4031	1.394	28	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	125.1290	0.000	1	124.7025	1.340	17	124.4031	1.394	28	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	123.0740	0.000	1	124.7025	1.340	17	124.4031	1.394	28	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	125.3553	0.888	3	124.7025	1.340	17	124.4031	1.394	28	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	125.1347	1.596	4	124.7025	1.340	17	124.4031	1.394	28	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	124.6930	0.000	1	124.7025	1.340	17	124.4031	1.394	28	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	124.1857	1.149	4	124.7025	1.340	17	124.4031	1.394	28	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	125.1400	0.544	2	124.7025	1.340	17	124.4031	1.394	28	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(O){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	123.4180	0.000	1	124.7025	1.340	17	124.4031	1.394	28	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Br<1>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(Br){1|C<4>,2|C<3>}	127.2811	0.234	7	127.2811	0.055	7	127.2811	0.055	7	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2){3|Cl<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(N[5a]C[5a]2){2|Cl<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>}	123.6390	0.000	1	123.6390	0.000	1	125.5175	7.058	2	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]P)(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2){1|P<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]P)(Cl){4|C<3>}	127.3960	0.000	1	127.3960	0.000	1	125.5175	7.058	2	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	123.5880	0.000	1	123.5880	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	124.1560	0.000	1	124.1560	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	125.1920	0.000	1	125.1920	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,4|C<3>}	123.5250	1.008	2	123.5250	1.017	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	123.5110	0.000	1	124.3570	1.431	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<2>,1|N<3>,2|C<3>}	125.2030	0.000	1	124.3570	1.431	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	124.1340	0.000	1	123.2767	0.577	3	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	122.8480	0.226	2	123.2767	0.577	3	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	124.1810	0.000	1	124.1810	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(N[5a]C[5a]2){1|H<1>,3|C<3>,3|C<4>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	125.0720	0.000	1	125.0720	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	124.1340	0.000	1	124.7220	0.691	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	125.3100	0.000	1	124.7220	0.691	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){2|Cl<1>,1|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	124.9690	0.000	1	124.9690	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	123.7115	0.719	2	123.4130	0.299	4	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	123.0080	0.000	1	123.4130	0.299	4	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|H<1>,2|O<2>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	123.2210	0.000	1	123.4130	0.299	4	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	123.7570	0.000	1	122.5377	1.149	3	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|S<4>,3|C<3>}	121.7450	0.000	1	122.5377	1.149	3	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	122.1110	0.000	1	122.5377	1.149	3	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]I)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|I<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]I)(H){4|C<3>}	124.3215	0.776	2	124.3215	0.602	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(H)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2){3|Cl<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(N[5a]C[5a]2){2|Cl<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(H){2|Cl<1>,2|C<3>}	128.0120	0.000	1	128.0120	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|N<3>,3|C<3>}	124.1360	0.768	2	124.1360	0.590	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Si)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Si)(H){2|C<3>,2|N<3>}	123.8675	0.036	2	123.8675	0.001	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|P<3>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|P<3>,2|C<3>}	123.7480	0.000	1	123.7480	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|S<2>,3|C<3>}	124.2300	0.000	1	124.2300	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]B)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]B)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|B<3>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|B<3>,2|C<3>}	120.1480	0.000	1	120.1480	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	120.0650	0.000	1	120.0650	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	126.8246	0.638	8	126.8246	0.407	8	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){1|C<4>,2|C<3>}	126.7344	0.128	10	126.7344	0.016	10	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){1|C<4>,2|C<3>}	124.2840	0.000	1	124.2840	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){3|C<3>}	124.0226	0.954	8	124.0226	0.910	8	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){1|C<4>,2|C<3>}	124.9275	0.562	6	124.9275	0.316	6	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	126.7750	0.300	2	126.7750	0.090	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	127.5890	0.583	2	127.5890	0.339	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	127.0440	1.332	2	127.0440	1.775	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	127.8633	1.295	3	127.8633	1.677	3	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	126.7607	0.790	3	126.7607	0.625	3	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	127.0532	0.226	4	127.0532	0.051	4	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	126.6613	2.007	3	126.6613	4.030	3	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	127.6500	0.000	1	127.6500	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	128.4400	0.000	1	128.4400	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	125.5630	0.000	1	126.6705	2.453	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	127.7780	0.000	1	126.6705	2.453	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	126.8510	0.000	1	127.5015	0.846	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	128.1520	0.000	1	127.5015	0.846	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	125.8907	0.368	3	126.6734	1.695	46	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	126.7280	1.328	43	126.6734	1.695	46	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	126.9520	0.000	1	126.9520	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|C<3>}	127.4730	0.000	1	127.4730	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	127.2045	0.258	2	127.2045	0.067	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|N<2>,3|H<1>}	C[6a](C[6a]N[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	127.5690	0.000	1	127.5690	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|H<1>,1|N<2>,2|C<3>,3|N<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){1|N<3>,2|C<3>}	122.6810	0.000	1	123.0770	0.314	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){1|N<3>,2|C<3>}	123.4730	0.000	1	123.0770	0.314	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|O<1>,3|C<3>}	126.0925	0.554	2	126.0925	0.307	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,1|P<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,2|C<3>}	125.2320	0.000	1	124.6420	0.696	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<4>,2|C<3>}	124.0520	0.000	1	124.6420	0.696	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|N<2>,1|P<4>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<4>,2|C<3>}	124.8480	0.000	1	124.8480	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,1|P<4>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<4>,2|C<3>}	122.9430	2.376	2	122.9430	5.645	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,2|C<3>}	124.7596	0.801	5	124.0636	1.846	10	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<4>,2|C<3>}	125.4210	0.000	1	124.0636	1.846	10	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|P<4>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<4>,2|C<3>}	122.8543	1.145	4	124.0636	1.846	10	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,1|P<3>,3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,2|C<3>}	122.5250	0.000	1	122.7057	3.811	3	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,1|P<4>,3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<4>,2|C<3>}	122.7960	2.752	2	122.7057	3.811	3	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<2>,1|S<1>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|S<1>,2|C<3>}	125.1970	0.000	1	125.1970	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|S<2>,2|C<3>}	126.2795	1.213	2	126.2795	1.471	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|F<1>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C)(H){1|O<1>,2|C<3>}	125.9370	0.000	1	125.9370	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	126.1200	0.677	2	126.1200	0.459	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	125.7865	0.303	2	125.7865	0.092	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<3>,2|C<3>}	126.7490	0.000	1	126.7490	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)(H){2|C<3>,2|H<1>}	123.8060	0.000	1	123.8060	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(N[5a]C[5a]2){2|H<1>,2|N<3>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	125.4430	0.536	12	125.4430	0.287	12	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	125.1855	1.042	2	125.1855	1.085	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	126.0840	0.000	1	126.1090	0.001	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	126.1340	0.000	1	126.1090	0.001	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	125.7290	0.000	1	125.7290	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	125.9880	0.000	1	126.0045	0.303	26	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|I<1>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	126.0555	0.638	4	126.0045	0.303	26	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	125.8435	0.479	2	126.0045	0.303	26	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|P<4>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	125.6665	0.664	4	126.0045	0.303	26	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	126.1037	0.544	15	126.0045	0.303	26	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]Rh)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]Rh)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Rh<4>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|Rh<4>,1|S<3>,2|C<3>}	121.9820	0.000	1	121.9820	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){3|C<3>}	125.0860	0.000	1	125.0860	0.000	1	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Se<2>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|Se<2>,2|C<3>}	125.9230	0.624	2	125.9230	0.389	2	125.6508	2.810	221	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|I<1>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(I){4|C<3>}	127.0520	0.000	1	127.0520	0.000	1	126.3100	1.101	2	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|I<1>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(I){4|C<3>}	125.5680	0.000	1	125.5680	0.000	1	126.3100	1.101	2	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2){1|Cu<3>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(O){1|Cu<3>,1|S<2>,2|C<3>}	125.3810	0.000	1	125.3810	0.000	1	121.9529	2.398	25	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(O){1|Cu<4>,1|S<2>,2|C<3>}	124.4247	0.877	3	124.4247	0.769	3	121.9529	2.398	25	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){3|C<3>}	120.4020	0.579	4	120.4020	0.336	4	121.9529	2.398	25	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){1|N<2>,2|C<3>}	122.1620	0.000	1	122.1620	0.000	1	121.9529	2.398	25	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){1|N<2>,2|C<3>}	121.6010	0.000	1	121.6010	0.000	1	121.9529	2.398	25	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){1|N<2>,2|C<3>}	122.0618	0.631	9	122.0618	0.398	9	121.9529	2.398	25	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|O<1>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){1|S<1>,2|C<3>}	121.0340	1.507	4	121.0340	2.272	4	121.9529	2.398	25	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]N[5a]Cu)(C[5a]C[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]Cu)(C[5a]C[5a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Cu<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(O){1|Cu<2>,3|C<3>}	121.1860	0.000	1	121.1860	0.000	1	121.9529	2.398	25	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]N[5a]Rh)(C[5a]C[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(O)	N[5a](C[5a]N[5a]Rh)(C[5a]C[5a]O)(C[6a]C[6a]2){1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Rh<6>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(O){1|Rh<6>,3|C<3>}	120.9190	0.000	1	120.9190	0.000	1	121.9529	2.398	25	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|N<2>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]C)(O){1|N<2>,3|C<3>}	118.8480	1.239	2	118.8480	1.535	2	123.6669	3.052	35	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]C)(O){2|C<3>,2|C<4>}	123.9040	0.000	1	123.9040	0.000	1	123.6669	3.052	35	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,3|C<3>}	121.2790	0.000	1	121.2790	0.000	1	123.6669	3.052	35	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])2(O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])2(O){2|H<1>,4|C<3>}	123.3485	1.522	2	123.3485	2.318	2	123.6669	3.052	35	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]H)(O){1|C<4>,2|C<3>}	125.2210	0.000	1	125.2210	0.000	1	123.6669	3.052	35	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O){5|C<3>}	124.4580	0.000	1	124.4580	0.000	1	123.6669	3.052	35	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]H)(O){1|C<4>,2|C<3>}	123.4715	0.091	2	123.9548	0.613	5	123.6669	3.052	35	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]H)(O){1|C<4>,2|C<3>}	124.2770	0.912	3	123.9548	0.613	5	123.6669	3.052	35	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5,5]N[5a])(N[5a]C[5a]C[6a])(O)	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a]C[5,5]N[5a])(N[5a]C[5a]C[6a])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	123.9350	0.000	1	123.9350	0.000	1	123.6669	3.052	35	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]2)(O)	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]2)(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	125.4950	1.282	4	125.4950	1.644	4	123.6669	3.052	35	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C)(O){1|N<3>,1|O<1>,2|C<3>}	122.7145	1.232	4	123.0460	0.754	10	123.6669	3.052	35	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C)(O){1|O<1>,3|C<3>}	123.2670	0.547	6	123.0460	0.754	10	123.6669	3.052	35	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(O)	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.8420	0.000	1	123.6325	1.250	2	123.6669	3.052	35	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(O)	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	124.4230	0.000	1	123.6325	1.250	2	123.6669	3.052	35	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]Ge)(O)	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2){1|Ge<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]Ge)(O){1|O<2>,2|C<3>}	124.8035	0.438	2	124.8035	0.192	2	123.6669	3.052	35	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]H)(O){1|C<4>,1|O<1>,2|C<3>}	125.3547	0.115	3	125.3547	0.013	3	123.6669	3.052	35	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	124.7960	0.000	1	124.7960	0.000	1	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	127.0083	0.860	4	125.9489	3.250	7	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	123.8450	1.984	2	125.9489	3.250	7	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){4|C<3>}	125.9190	0.000	1	125.9489	3.250	7	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	124.2545	1.725	55	124.6403	3.199	82	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	125.0765	1.561	23	124.6403	3.199	82	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	127.4375	0.559	4	124.6403	3.199	82	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(O){2|C<4>,4|C<3>}	125.0370	0.000	1	125.0370	0.000	1	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O){1|C<4>,1|H<1>,2|C<3>}	128.4540	0.925	2	128.4540	0.855	2	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	129.6100	0.000	1	129.4391	0.535	7	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	129.5898	0.542	4	129.4391	0.535	7	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|C<4>,1|H<1>,4|C<3>}	129.0525	1.381	2	129.4391	0.535	7	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	129.4447	1.159	11	129.1227	1.177	21	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	128.9187	0.670	7	129.1227	1.177	21	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|H<1>,3|C<3>}	127.5525	0.015	2	129.1227	1.177	21	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|H<1>}	130.1480	0.000	1	129.1227	1.177	21	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O){1|C<4>,1|H<1>,2|C<3>}	129.8163	0.196	3	129.8163	0.038	3	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]O)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]O)(O){1|C<4>,1|H<1>,2|C<3>}	127.9110	0.000	1	127.9110	0.000	1	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(O){1|C<4>,1|H<1>,2|C<3>}	129.8223	0.603	3	129.8223	0.364	3	126.0419	6.705	128	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,1|N<2>,4|C<3>}	126.1130	0.000	1	126.3022	1.382	5	126.3022	1.382	5	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|N<2>,2|H<1>,3|C<3>}	125.8740	1.177	3	126.3022	1.382	5	126.3022	1.382	5	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,5|C<3>}	127.7760	0.000	1	126.3022	1.382	5	126.3022	1.382	5	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]Ni)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]Ni)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|Ni<4>,1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|Ni<4>,2|C<3>}	124.6420	0.000	1	124.6420	0.000	1	124.6420	0.000	1	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	126.5685	0.913	8	126.5685	0.834	8	126.5685	0.834	8	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6,6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6,6a])(C[5a]C[5a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6,6a])(C[5a]C[5a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]2){1|N<2>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	125.5005	0.093	2	125.5005	0.009	2	125.5005	0.009	2	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a]2){1|N<2>,4|H<1>,6|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	125.9025	0.216	2	125.9025	0.047	2	125.9025	0.047	2	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]2){3|H<1>,6|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	122.3560	0.000	1	122.3560	0.000	1	125.5543	3.512	7	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,4|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	127.6450	0.252	2	127.6450	0.063	2	125.5543	3.512	7	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){4|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	125.0520	0.998	2	125.0520	0.997	2	125.5543	3.512	7	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,3|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	125.5650	0.733	2	125.5650	0.537	2	125.5543	3.512	7	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](N[5a]C[5a]Pd)(C[5a]C[5a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]P)(O)	N[5a](N[5a]C[5a]Pd)(C[5a]C[5a]O)(C[6a]C[6a]2){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Pd<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]P)(O){1|Pd<4>,1|C<4>,2|C<3>}	128.0980	0.000	1	128.0980	0.000	1	128.0980	0.000	1	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]O)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]O)2{1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|N<3>,1|O<1>,2|C<3>}	120.9340	3.485	3	120.9340	12.148	3	120.9340	12.148	3	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	Se[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](Se[5a,5a]N[5a,5a,6]N[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](N[5a]Se[5a,5a]C[5a])(C[6a]C[6a]C)2	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]Se[5a,5a]C[6a])(H)	N[5a](Se[5a,5a]N[5a,5a,6]N[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](N[5a]Se[5a,5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]Se[5a,5a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	127.5330	0.000	1	127.5330	0.000	1	127.5330	0.000	1	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	Si[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](Si[5a]N[5a]As)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]Si[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](Si[5a]N[5a]As)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]Si[5a]C[5a])(C[6a]C[6a]C)2{1|As<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H){1|As<2>,3|C<3>}	119.1740	2.834	2	119.1740	8.032	2	117.4086	4.913	8	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	Si[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](Si[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]Si[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](Si[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]Si[5a]C[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H){1|N<2>,3|C<3>}	118.7935	1.343	2	118.7935	1.803	2	117.4086	4.913	8	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	Si[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](Si[5a]N[5a]V)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]Si[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](Si[5a]N[5a]V)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]Si[5a]C[5a])(C[6a]C[6a]C)2{1|V<11>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H){1|V<11>,3|C<3>}	115.8335	1.233	4	115.8335	1.520	4	117.4086	4.913	8	123.8383	10.383	821	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]C[6a])(N[5a]N[5a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]C[6a])(N[5a]N[5a]){1|H<1>,6|C<3>}	125.5190	0.000	1	125.5190	0.000	1	125.5190	0.000	1	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]N)(NC[6a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<2>,2|C<4>,5|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]N)(NC[6a]){4|C<3>}	121.1905	2.102	2	121.1905	4.419	2	121.1905	4.419	2	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,6|C<3>}	125.1389	1.543	13	125.1389	2.382	13	125.2517	2.180	15	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,7|C<3>}	125.3970	0.000	1	125.3970	0.000	1	125.2517	2.180	15	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,7|C<3>}	126.5720	0.000	1	126.5720	0.000	1	125.2517	2.180	15	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC){4|C<3>}	126.9250	0.000	1	126.9250	0.000	1	126.9250	0.000	1	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	125.5457	0.783	4	125.5457	0.612	4	125.5457	0.612	4	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a,6a]){8|C<3>}	125.6290	0.000	1	125.6290	0.000	1	127.5860	4.759	3	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	128.5645	1.942	2	128.5645	3.773	2	127.5860	4.759	3	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a,6a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CN)	N[5a](C[5a]C[5a,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CN){1|C<4>,1|H<1>,4|C<3>}	123.6010	0.000	1	123.6010	0.000	1	123.6010	0.000	1	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(SC)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(SC){1|H<1>,1|N<2>,4|C<3>}	126.7660	0.000	1	126.7660	0.000	1	126.7660	0.000	1	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	130.1080	0.000	1	129.1240	1.937	2	127.8682	3.501	33	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|H<1>,2|C<3>,2|C<4>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	128.1400	0.000	1	129.1240	1.937	2	127.8682	3.501	33	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|S<2>,4|C<3>}	131.1130	0.000	1	131.1130	0.000	1	127.8682	3.501	33	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,6|C<3>}	127.4820	0.395	2	127.4820	0.156	2	127.8682	3.501	33	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	127.6350	0.000	1	127.6902	3.522	28	127.8682	3.501	33	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	127.6734	2.061	5	127.6902	3.522	28	127.8682	3.501	33	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	127.5930	2.909	2	127.6902	3.522	28	127.8682	3.501	33	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	127.6990	0.000	1	127.6902	3.522	28	127.8682	3.501	33	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	127.8351	1.960	17	127.6902	3.522	28	127.8682	3.501	33	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){6|C<3>}	126.6215	2.338	2	127.6902	3.522	28	127.8682	3.501	33	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-2:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(CN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(CN){1|H<1>,3|C<3>}	125.2390	0.000	1	125.2390	0.000	1	125.8023	0.764	7	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-2:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CN){1|C<4>,2|C<3>}	126.6480	0.144	2	126.6480	0.021	2	125.8023	0.764	7	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-2:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC){1|C<2>,1|H<1>,2|C<3>}	126.0580	0.325	2	126.0580	0.106	2	125.8023	0.764	7	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC){1|N<3>,3|C<3>}	125.7690	0.000	1	125.7690	0.000	1	125.8023	0.764	7	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Si)(CC)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Si)(CC){1|N<3>,3|C<3>}	124.1960	0.000	1	124.1960	0.000	1	125.8023	0.764	7	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]N[5a]Rh)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]O)(NC)	N[5a](C[5a]N[5a]Rh)(C[5a]C[5a]N)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Rh<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]O)(NC){1|Rh<6>,3|C<3>}	122.7000	0.000	1	122.7000	0.000	1	122.7000	0.000	1	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a]){1|N<3>,1|S<2>,3|C<3>}	129.9145	0.112	2	129.9145	0.013	2	129.9145	0.013	2	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(OC)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(OC){1|C<4>,2|C<3>}	124.5600	0.000	1	124.5600	0.000	1	124.5600	0.000	1	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:S-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(SC)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(SC){4|C<3>}	125.7880	0.000	1	125.7880	0.000	1	126.8230	4.328	3	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:S-2:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(SC)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(SC){1|H<1>,3|C<3>}	127.3405	2.655	2	127.3405	7.050	2	126.8230	4.328	3	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(N[5a]C[5a]2){1|N<2>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	125.8230	0.000	1	125.8230	0.000	1	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a]){8|C<3>}	127.1815	0.265	2	127.1815	0.070	2	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	127.7002	1.708	10	127.5090	1.814	27	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,7|C<3>}	127.8618	0.543	4	127.5090	1.814	27	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	126.9476	1.230	10	127.5090	1.814	27	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,6|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	128.2727	0.567	3	127.5090	1.814	27	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	128.9360	1.283	2	128.9360	1.645	2	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	127.6780	0.330	2	126.8596	1.586	18	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|H<1>,2|C<4>,4|C<3>}	126.0735	0.037	2	126.8596	1.586	18	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	128.0433	1.311	3	126.8596	1.586	18	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|O<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	127.2410	0.000	1	126.8596	1.586	18	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,3|C<3>,3|C<4>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	127.3600	0.088	2	126.8596	1.586	18	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	127.3510	0.000	1	126.8596	1.586	18	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	125.7556	1.408	5	126.8596	1.586	18	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	126.8745	1.307	2	126.8596	1.586	18	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	127.8740	0.000	1	127.8740	0.000	1	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	131.5050	0.000	1	129.7275	6.319	2	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	127.9500	0.000	1	129.7275	6.319	2	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	128.7270	0.000	1	128.9560	0.076	3	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	129.0705	0.269	2	128.9560	0.076	3	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<3>,2|N<2>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	130.2320	0.000	1	130.2320	0.000	1	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,4|C<3>}	128.9580	0.000	1	129.7600	1.286	2	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,4|C<3>}	130.5620	0.000	1	129.7600	1.286	2	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	129.4700	0.000	1	129.4700	0.000	1	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	127.3970	0.000	1	127.3201	2.330	35	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,5|C<3>}	123.8940	0.000	1	127.3201	2.330	35	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	127.5980	1.791	4	127.3201	2.330	35	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,5|C<3>}	127.6175	0.721	4	127.3201	2.330	35	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,5|C<3>}	128.7155	1.273	2	127.3201	2.330	35	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,6|C<3>}	127.3360	0.061	2	127.3201	2.330	35	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	127.2356	1.580	21	127.3201	2.330	35	127.5147	2.302	95	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(SC)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2){1|Cu<3>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(SC){1|O<1>,3|C<3>}	125.4810	0.000	1	125.4810	0.000	1	125.4998	0.976	4	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(SC)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(SC){1|O<1>,3|C<3>}	126.5940	0.000	1	126.5940	0.000	1	125.4998	0.976	4	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(SCu)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(SCu){1|O<1>,3|C<3>}	124.9620	1.073	2	124.9620	1.152	2	125.4998	0.976	4	127.0841	3.682	174	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]2)	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	124.2700	0.038	2	124.2700	0.001	2	124.2700	0.001	2	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,9|C<3>}	123.1790	0.989	4	123.1790	0.978	4	123.1790	0.978	4	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<2>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a,5a]C){1|H<1>,1|N<3>,5|C<3>}	128.4940	0.000	1	128.4940	0.000	1	128.4940	0.000	1	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6]C[6]2)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6]C[6]2){2|H<1>,2|N<3>,4|C<3>}	127.8657	0.448	4	127.8657	0.201	4	127.8657	0.201	4	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	128.0460	0.000	1	128.0460	0.000	1	128.5158	0.337	26	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	128.5091	0.274	13	128.5346	0.341	25	128.5158	0.337	26	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	128.5623	0.813	12	128.5346	0.341	25	128.5158	0.337	26	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	126.5400	0.000	1	126.5400	0.000	1	126.5400	0.000	1	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6]C[5a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C[5a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	128.1200	0.000	1	128.1200	0.000	1	128.1200	0.000	1	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.8290	0.000	1	125.8290	0.000	1	126.2911	1.537	18	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	127.1630	0.000	1	125.5423	1.985	3	126.2911	1.537	18	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	124.7320	0.171	2	125.5423	1.985	3	126.2911	1.537	18	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C[5])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	125.6320	0.000	1	125.6320	0.000	1	126.2911	1.537	18	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	126.6250	0.000	1	126.5502	1.580	13	126.2911	1.537	18	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	125.0180	0.382	2	126.5502	1.580	13	126.2911	1.537	18	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	126.7540	1.428	7	126.5502	1.580	13	126.2911	1.537	18	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	127.0710	0.625	3	126.5502	1.580	13	126.2911	1.537	18	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(CCH){1|N<3>,5|C<3>}	121.6480	0.000	1	121.6480	0.000	1	121.6480	0.000	1	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[6]C[6]N[6]){1|Zn<4>,1|H<1>,8|C<3>}	126.2070	0.000	1	126.2070	0.000	1	126.2070	0.000	1	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	126.0690	0.000	1	126.0690	0.000	1	124.8688	1.911	5	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<3>,2|H<1>,6|C<3>}	123.6390	0.000	1	124.5687	1.947	4	124.8688	1.911	5	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|N<3>,2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<4>,2|H<1>,6|C<3>}	123.4990	0.000	1	124.5687	1.947	4	124.8688	1.911	5	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|Cl<1>,1|B<4>,2|C<4>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<4>,2|H<1>,6|C<3>}	125.5685	1.354	2	124.5687	1.947	4	124.8688	1.911	5	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]O){4|C<3>}	125.4335	0.602	2	125.4335	0.362	2	124.9068	3.411	5	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CHO){4|C<3>}	123.3300	0.000	1	123.3300	0.000	1	124.9068	3.411	5	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN[5]O){4|C<3>}	127.4160	0.000	1	127.4160	0.000	1	124.9068	3.411	5	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]H){1|N<3>,3|C<3>}	122.9210	0.000	1	122.9210	0.000	1	124.9068	3.411	5	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<2>,1|O<2>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a,6a]C){1|H<1>,6|C<3>}	127.7970	0.000	1	127.7970	0.000	1	127.7970	0.000	1	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Pd)(C[6]C[6]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Pd)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	127.0500	0.000	1	127.0500	0.000	1	127.0500	0.000	1	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	127.0850	0.000	1	127.0850	0.000	1	126.5139	1.287	10	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	125.4850	0.000	1	125.6143	0.048	3	126.5139	1.287	10	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	125.6790	0.267	2	125.6143	0.048	3	126.5139	1.287	10	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.6655	2.073	2	126.6655	4.295	2	126.5139	1.287	10	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	127.1205	1.828	2	127.1205	3.341	2	126.5139	1.287	10	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	126.8195	0.353	2	126.8195	0.125	2	126.5139	1.287	10	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NCH){4|C<3>}	123.8380	0.000	1	123.8380	0.000	1	124.6417	2.186	3	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NC[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NC[6a]H){4|C<3>}	123.7390	0.000	1	123.7390	0.000	1	124.6417	2.186	3	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NHH){4|C<3>}	126.3480	0.000	1	126.3480	0.000	1	124.6417	2.186	3	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,4|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H){1|H<1>,6|C<3>}	126.3915	1.057	2	126.3915	1.118	2	126.3915	1.118	2	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Ge<3>,1|S<2>,2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|Ge<3>,2|H<1>,6|C<3>}	124.2030	1.236	4	125.1819	2.169	8	125.1819	2.169	8	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Ge<3>,1|Te<3>,2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|Ge<3>,2|H<1>,6|C<3>}	126.1607	0.988	4	125.1819	2.169	8	125.1819	2.169	8	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	127.3270	0.000	1	126.5585	1.181	2	126.5585	1.181	2	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|O<2>,2|H<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.7900	0.000	1	126.5585	1.181	2	126.5585	1.181	2	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	126.3990	0.000	1	126.3990	0.000	1	126.3990	0.000	1	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a,6]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	124.7350	0.000	1	124.7590	0.001	2	124.7590	0.001	2	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a,6]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	124.7830	0.000	1	124.7590	0.001	2	124.7590	0.001	2	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	126.5530	0.450	2	126.5530	0.202	2	125.7903	1.846	3	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|I<1>,2|H<1>,6|C<3>}	124.2650	0.000	1	124.2650	0.000	1	125.7903	1.846	3	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,8|C<3>}	124.1500	0.000	1	124.1500	0.000	1	124.1500	0.000	1	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(COO)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	127.5960	0.000	1	127.5960	0.000	1	126.9201	3.851	7	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CC[6a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CC[6a]C){1|H<1>,5|C<3>}	122.8020	0.000	1	122.8020	0.000	1	126.9201	3.851	7	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(COO){1|H<1>,5|C<3>}	126.6690	0.000	1	126.6690	0.000	1	126.9201	3.851	7	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(CHO)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(CHO){5|C<3>}	127.6225	0.220	2	127.6225	0.048	2	126.9201	3.851	7	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(COO)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(COO){5|C<3>}	128.0645	1.404	2	128.0645	1.970	2	126.9201	3.851	7	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|H<1>,4|C<3>}	127.4380	0.000	1	127.4380	0.000	1	125.3869	1.197	9	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]2)2(C[6a]C[6a]2){2|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	125.5272	0.352	6	125.5272	0.124	6	125.3869	1.197	9	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	123.9405	0.671	2	123.9405	0.450	2	125.3869	1.197	9	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|H<1>,2|O<2>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	127.2490	0.000	1	127.2490	0.000	1	125.1585	2.333	33	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(N[5a]C[5a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(N[5a]C[5a]2){1|N<2>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	123.9690	0.000	1	123.9690	0.000	1	125.1585	2.333	33	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	125.1415	1.382	26	124.9748	1.958	29	125.1585	2.333	33	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	123.5303	0.198	3	124.9748	1.958	29	125.1585	2.333	33	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|B<3>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	126.0900	0.000	1	126.0900	0.000	1	125.1585	2.333	33	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	128.6530	0.000	1	128.6530	0.000	1	125.1585	2.333	33	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(NCH)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(NCH){1|H<1>,5|C<3>}	127.3200	0.795	2	127.3200	0.632	2	127.3200	0.632	2	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	127.5810	0.000	1	127.5810	0.000	1	127.5810	0.000	1	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO){4|C<3>}	126.3630	0.000	1	126.3630	0.000	1	126.4969	2.762	17	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CN[5]O)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CN[5]O){2|C<3>,2|H<1>}	127.3400	0.000	1	127.3400	0.000	1	126.4969	2.762	17	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]C)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]C){2|C<3>,2|H<1>}	127.6885	0.013	2	127.6885	0.000	2	126.4969	2.762	17	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	126.7380	0.000	1	126.7380	0.000	1	126.4969	2.762	17	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CNO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CNO){1|C<4>,2|C<3>}	124.7430	0.000	1	124.7430	0.000	1	126.4969	2.762	17	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CC[6a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|N<2>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CC[6a]H){1|C<4>,1|O<1>,2|C<3>}	128.8510	0.182	2	128.8510	0.033	2	126.4969	2.762	17	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	124.2460	1.360	2	124.8270	1.938	3	126.4969	2.762	17	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	125.9890	0.000	1	124.8270	1.938	3	126.4969	2.762	17	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,3|C<3>}	123.6080	0.000	1	126.3497	5.646	3	126.4969	2.762	17	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	127.7205	0.132	2	126.3497	5.646	3	126.4969	2.762	17	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O)(COO){1|H<1>,3|C<3>}	126.1600	0.000	1	126.1600	0.000	1	126.4969	2.762	17	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO){3|C<3>}	125.1210	0.000	1	125.1210	0.000	1	126.4969	2.762	17	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]N[5a]Cu)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]O)(CCO)	N[5a](C[5a]N[5a]Cu)(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Cu<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]O)(CCO){1|Cu<2>,3|C<3>}	127.3730	0.000	1	127.3730	0.000	1	126.4969	2.762	17	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	127.1890	0.000	1	127.1890	0.000	1	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	125.3630	0.000	1	125.3630	0.000	1	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	125.8490	0.000	1	125.8740	1.129	3	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	124.8240	0.000	1	125.8740	1.129	3	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.9490	0.000	1	125.8740	1.129	3	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	126.4735	1.183	2	125.3357	2.100	15	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	123.2055	0.120	2	125.3357	2.100	15	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	125.1490	0.000	1	125.3357	2.100	15	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	125.1585	0.811	6	125.3357	2.100	15	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.8463	2.137	3	125.3357	2.100	15	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	127.0380	0.000	1	125.3357	2.100	15	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	124.9940	0.000	1	125.5960	2.113	3	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	124.5400	0.000	1	125.5960	2.113	3	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|Si<4>,1|C<2>,2|H<1>,4|C<3>}	127.2540	0.000	1	125.5960	2.113	3	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){2|Cl<1>,1|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	125.6510	0.000	1	125.6510	0.000	1	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	128.4100	0.000	1	127.5122	1.759	4	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|I<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|I<1>,3|H<1>,4|C<3>}	126.4640	0.915	2	127.5122	1.759	4	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	128.7110	0.000	1	127.5122	1.759	4	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	127.5590	0.462	2	127.5590	0.214	2	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	127.0520	0.909	2	127.0520	0.827	2	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2){4|C<3>,4|H<1>}	129.1330	0.000	1	129.1330	0.000	1	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|I<1>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|I<1>,1|O<2>,2|H<1>,4|C<3>}	123.7240	0.000	1	123.7240	0.000	1	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|I<1>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|I<1>,3|H<1>,4|C<3>}	125.5140	0.000	1	125.5140	0.000	1	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	123.4510	0.000	1	123.4510	0.000	1	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	124.9340	0.000	1	124.9340	0.000	1	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	127.5385	0.176	2	127.5385	0.031	2	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	127.6590	0.000	1	127.6590	0.000	1	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	125.3500	0.403	2	125.3500	0.162	2	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	125.7620	0.000	1	124.5832	0.706	4	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	124.1903	0.365	3	124.5832	0.706	4	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	126.2000	0.000	1	126.0120	0.270	5	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.1807	0.489	3	126.0120	0.270	5	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	125.3180	0.000	1	126.0120	0.270	5	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|I<1>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	124.4110	0.000	1	124.4110	0.000	1	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	122.2760	0.000	1	122.9963	1.224	3	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|I<1>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|I<1>,2|H<1>,5|C<3>}	124.2700	0.000	1	122.9963	1.224	3	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){3|H<1>,5|C<3>}	122.4430	0.000	1	122.9963	1.224	3	125.7073	2.546	55	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(NHH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(NHH){1|C<4>,3|C<3>}	124.6360	0.000	1	124.6360	0.000	1	128.0482	2.094	10	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(NCH)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(NCH){1|H<1>,3|C<3>}	128.4303	0.974	3	128.2972	0.508	5	128.0482	2.094	10	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(NCH)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(NCH){1|Si<4>,1|H<1>,2|C<3>}	128.0975	0.053	2	128.2972	0.508	5	128.0482	2.094	10	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(NHH){1|H<1>,2|C<3>}	127.0990	0.000	1	127.0990	0.000	1	128.0482	2.094	10	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(NHH){1|H<1>,2|C<3>}	128.9280	0.000	1	128.9280	0.000	1	128.0482	2.094	10	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|H<1>,1|N<2>,2|C<3>,3|N<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(NOO){1|H<1>,2|C<3>}	128.5800	0.000	1	129.1665	0.688	2	128.0482	2.094	10	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(NOO){1|H<1>,2|C<3>}	129.7530	0.000	1	129.1665	0.688	2	128.0482	2.094	10	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N[6]-3:	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(N[6]C[6]2)	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	127.1380	0.000	1	127.1380	0.000	1	127.1380	0.000	1	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:P-3:	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(PCO)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|P<3>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(PCO){2|C<3>,2|H<1>}	127.2820	0.000	1	127.2820	0.000	1	127.2820	0.000	1	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])2(CHH)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2){1|P<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])2(CHH){1|Cl<1>,1|P<4>,4|C<3>}	121.6930	0.000	1	121.6930	0.000	1	122.4690	1.323	10	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])2(CHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])2(CHH){2|H<1>,4|C<3>}	122.8824	0.710	8	122.8824	0.504	8	122.4690	1.323	10	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])2(CHH)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])2(CHH){1|Cl<1>,1|P<4>,4|C<3>}	119.9380	0.000	1	119.9380	0.000	1	122.4690	1.323	10	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,6|C<3>}	128.5800	0.000	1	128.5800	0.000	1	128.5800	0.000	1	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHO)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]2){3|H<1>,6|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHO){2|C<3>,2|H<1>}	130.5850	0.000	1	130.5850	0.000	1	130.5850	0.000	1	126.0496	3.788	251	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<3>,3|C<4>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)(CH3){1|Cl<1>,3|C<3>}	124.9820	0.843	2	124.9820	0.710	2	124.9820	0.710	2	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(CH3){4|C<3>}	124.4380	0.000	1	124.4380	0.000	1	124.7785	0.232	2	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(CH3){1|C<4>,3|C<3>}	125.1190	0.000	1	125.1190	0.000	1	124.7785	0.232	2	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){4|C<3>}	126.0440	0.000	1	126.0440	0.000	1	125.9676	1.821	12	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]CO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]CO){4|C<3>}	124.0760	0.000	1	124.0760	0.000	1	125.9676	1.821	12	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	123.5870	0.000	1	123.5870	0.000	1	125.9676	1.821	12	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){4|C<3>}	124.4890	0.000	1	125.9348	0.732	6	125.9676	1.821	12	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){4|C<3>}	126.2240	0.536	5	125.9348	0.732	6	125.9676	1.821	12	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCCH){4|C<3>}	128.0750	0.000	1	128.0750	0.000	1	125.9676	1.821	12	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN[5a]HH){4|C<3>}	126.9290	0.000	1	126.9290	0.000	1	125.9676	1.821	12	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<4>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){1|N<2>,3|C<3>}	127.2910	0.000	1	127.2910	0.000	1	125.9676	1.821	12	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:P-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(PCOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(PCOO){4|C<3>}	128.7700	0.000	1	128.7700	0.000	1	128.7700	0.000	1	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5,5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(CH3)	N[5a](C[5a]C[5,5a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	124.0575	0.715	2	124.0575	0.511	2	124.0575	0.511	2	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CCHH)	N[5a](C[5a]C[5a,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CCHH){1|C<2>,1|H<1>,4|C<3>}	125.9230	0.000	1	125.9230	0.000	1	123.8473	3.449	4	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(CC[5a]HO)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(CC[5a]HO){1|C<4>,5|C<3>}	122.3320	0.731	2	122.3320	0.535	2	123.8473	3.449	4	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CH3)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CH3){1|O<1>,1|O<2>,4|C<3>}	124.8020	0.000	1	124.8020	0.000	1	123.8473	3.449	4	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	127.9620	0.000	1	127.9620	0.000	1	126.6740	3.318	2	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCHH){2|N<3>,4|C<3>}	125.3860	0.000	1	125.3860	0.000	1	126.6740	3.318	2	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCFF)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCFF){2|C<3>,2|H<1>}	126.9820	0.000	1	126.9820	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	127.3398	0.224	4	127.3398	0.050	4	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CF3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CF3){2|C<3>,2|H<1>}	128.1760	0.000	1	128.1760	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	127.5925	0.902	2	127.5925	0.813	2	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[5a]2H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[5a]2H){2|C<3>,2|H<1>}	128.5530	0.000	1	128.5530	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[5]HN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(N[5a]C[5a]2){1|H<1>,3|C<3>,3|C<4>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[5]HN){2|C<3>,2|H<1>}	126.4440	0.000	1	126.4440	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CHHN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CHHN){1|C<4>,2|C<3>}	123.3830	0.000	1	123.3830	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[6a]2H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[6a]2H){1|H<1>,2|C<3>}	130.6760	0.000	1	130.6760	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|O<2>,2|C<3>}	127.5230	0.000	1	127.5230	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>}	125.1070	0.000	1	125.1070	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){1|P<4>,2|C<3>}	126.0590	0.000	1	126.0590	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	129.8140	0.000	1	129.8140	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	127.2840	0.000	1	127.2840	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHHN)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHHN){1|C<4>,1|H<1>,2|C<3>}	121.7755	2.054	2	121.7755	4.220	2	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	125.6120	0.254	3	125.6120	0.065	3	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	124.3553	0.159	3	124.3553	0.025	3	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	127.3640	0.000	1	127.3640	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	122.9020	0.000	1	122.9020	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCCH)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	124.5553	1.741	4	124.5553	3.031	4	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	124.9570	0.868	2	125.0760	0.378	5	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	125.1553	0.596	3	125.0760	0.378	5	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCCH)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<4>,2|N<3>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	124.9599	0.631	12	124.9599	0.398	12	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|C<4>}	124.9575	0.139	2	124.8607	0.448	9	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	125.1882	0.291	4	124.8607	0.448	9	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	124.3593	1.027	3	124.8607	0.448	9	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHHO)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHHO){4|C<3>}	123.5080	0.000	1	123.5080	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	123.2120	0.000	1	123.2120	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<2>,3|C<3>}	123.0430	0.000	1	124.2567	1.029	10	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	124.0530	0.000	1	124.2567	1.029	10	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,3|C<3>}	124.5030	0.000	1	124.2567	1.029	10	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){4|C<3>}	124.5110	0.000	1	124.2567	1.029	10	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	124.4095	1.224	6	124.2567	1.029	10	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	123.2830	0.000	1	123.2830	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){3|C<3>}	125.5870	0.000	1	125.5870	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){3|C<3>}	124.4270	0.147	2	124.3436	0.820	10	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){3|C<3>}	124.2852	1.128	5	124.3436	0.820	10	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|O<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){3|C<3>}	124.6510	0.000	1	124.3436	0.820	10	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,3|C<3>,3|C<4>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){3|C<3>}	124.2525	1.457	2	124.3436	0.820	10	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]HO)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]HO){3|C<3>}	126.1400	0.000	1	126.1400	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]HS)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]HS){3|C<3>}	124.4020	0.000	1	124.4020	0.000	1	125.1478	2.780	83	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[5]-4:	N[5a](C[5a]C[5a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[5]C[5]2Fe)	N[5a](C[5a]C[5a]C[5])2(C[6a]C[6a]2){2|Fe<10>,2|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[5]C[5]2Fe){1|Fe<10>,2|C<3>,2|H<1>,6|C<4>}	125.1065	0.991	2	125.1065	0.981	2	125.1065	0.981	2	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2C)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2C){4|C<3>}	128.7850	0.000	1	128.7850	0.000	1	128.7850	0.000	1	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)2{3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|H<1>,1|N<4>,2|C<4>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	124.7055	0.272	2	124.8323	0.098	4	124.8323	0.098	4	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)2{3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){2|C<4>,2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	124.9590	0.393	2	124.8323	0.098	4	124.8323	0.098	4	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	Ge[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](N[5a]Ge[5a]C[5a])(C[6a]C[6a]C)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C[6a])(CH3)	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](N[5a]Ge[5a]C[5a])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C[6a])(CH3){1|Cl<1>,1|H<1>,4|C<3>}	121.9860	0.000	1	121.9860	0.000	1	121.9860	0.000	1	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	Ge[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:N[5a]-3:C-4:	N[5a](Ge[5a]C[5,5a]Cr)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[6a](N[5a]Ge[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]Ge[5a]C[6a])(CC3)	N[5a](Ge[5a]C[5,5a]Cr)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|C<4>}	C[6a](N[5a]Ge[5a]C[5a])(C[6a]C[6a]C)2{1|Cr<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]Ge[5a]C[6a])(CC3){1|Cr<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	126.4630	0.000	1	126.4630	0.000	1	126.6545	0.073	2	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:4:	Ge[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:N[5a]-3:C-4:	N[5a](Ge[5a]C[5,5a]Mo)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[6a](N[5a]Ge[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]Ge[5a]C[6a])(CC3)	N[5a](Ge[5a]C[5,5a]Mo)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|C<4>}	C[6a](N[5a]Ge[5a]C[5a])(C[6a]C[6a]C)2{1|Mo<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]Ge[5a]C[6a])(CC3){1|Mo<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	126.8460	0.000	1	126.8460	0.000	1	126.6545	0.073	2	125.2342	2.795	118	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:4:1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-4:O-1:	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]CC)(O)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|C<3>,1|N<4>,1|O<1>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]CC)(O){1|N<2>,2|C<3>}	122.8650	0.000	1	122.8650	0.000	1	122.8650	0.000	1	122.8650	0.000	1	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6]-4:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|S<2>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]N[5a]){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	128.5080	0.000	1	128.5080	0.000	1	128.5080	0.000	1	128.5080	0.000	1	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[5]-4:C[5a]-3:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(C[5]N[5]O[5]C)(C[5a]C[5a]H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5]N[5]O[5]C)(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	127.3050	0.000	1	127.3050	0.000	1	127.3050	0.000	1	127.3050	0.000	1	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5]-4:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a](C[5]C[3x5,6]N[5]H)(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5]C[3x5,6]N[5]H)(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	125.9960	0.000	1	125.9960	0.000	1	125.9960	0.000	1	125.9960	0.000	1	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:B[5a]-4:C[5a]-3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[6a]C[6a,6a]C[6a])(B[5a]O[5a]FF)(C[5a]C[5a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]B[5a]C[5a])(C[6a]C[6a]H)	C[5a](N[5a]B[5a]C[6a])(C[5a]O[5a]C)(CCH)	N[5a](C[6a]C[6a,6a]C[6a])(B[5a]O[5a]FF)(C[5a]C[5a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]B[5a]C[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]O[5a]C)(CCH){2|C<3>,2|F<1>}	123.5640	0.000	1	123.5640	0.000	1	123.5640	0.000	1	123.5640	0.000	1	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	4:3:3:	3:3:3:	3:3:1:	B[5a]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:H-1:	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,8|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H){1|H<1>,6|C<3>}	121.3785	0.754	4	121.3785	0.568	4	121.4449	0.323	10	121.6424	0.549	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	4:3:3:	3:3:3:	3:3:1:	B[5a]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:H-1:	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H){1|H<1>,6|C<3>}	122.1180	0.000	1	122.1180	0.000	1	121.4449	0.323	10	121.6424	0.549	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	4:3:3:	3:3:3:	3:3:1:	B[5a]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:H-1:	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]B[5a]C[6a])(H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]B[5a]C[6a])(H){7|C<3>}	121.9390	0.000	1	121.9390	0.000	1	121.4449	0.323	10	121.6424	0.549	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	4:3:3:	3:3:3:	3:3:1:	B[5a]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-3:H-1:	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H){1|H<1>,6|C<3>}	121.2195	0.307	4	121.2195	0.094	4	121.4449	0.323	10	121.6424	0.549	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	4:3:3:	3:3:3:	3:3:1:	B[5a]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]Cl2)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Cl2)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){2|Cl<1>,3|C<3>}	122.6300	0.890	2	122.6300	0.791	2	122.6300	0.791	2	121.6424	0.549	12	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	4:3:3:	3:3:3:	3:3:3:	B[5,5a]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](N[5a]B[5,5a]C[5a])(C[6a]C[6a]C)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a])(CHN)	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]C)(C[6a]C[6a]2){4|C<3>,4|C<4>}	C[6a](N[5a]B[5,5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a])(CHN){1|H<1>,2|O<2>,4|C<3>}	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	120.2003	1.164	3	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	4:3:3:	3:3:3:	3:3:3:	B[5a,6,6]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N[5a](B[5a,6,6]C[6,6]2C[5a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]B[5a,6,6]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]B[5a,6,6]C[6a])(N[5a]C[5a]C)(NB[6,6]C)	N[5a](B[5a,6,6]C[6,6]2C[5a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	C[6a](N[5a]B[5a,6,6]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5a](N[5a]B[5a,6,6]C[6a])(N[5a]C[5a]C)(NB[6,6]C){1|N<2>,2|C<3>,2|C<4>}	121.0890	0.000	1	121.0890	0.000	1	121.0890	0.000	1	120.2003	1.164	3	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	4:3:3:	3:3:3:	3:3:3:	B[5a]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]B[5a]C[6a])(N[5a]C[5a]C)(NCH)	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(C[6a]C[6a]2){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5a](N[5a]B[5a]C[6a])(N[5a]C[5a]C)(NCH){1|N<2>,2|C<3>,2|C<4>}	119.0000	0.000	1	119.0000	0.000	1	119.0000	0.000	1	120.2003	1.164	3	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP2_SP2_SP2	N[5a]	C[6a]	C[5a]	4:3:3:	3:3:3:	3:3:4:	B[5a]-4:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:N[5a]-3:C-4:	N[5a](B[5a]C[5,5a]C[6a]F)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]B[5a]C[6a])(CC3)	N[5a](B[5a]C[5,5a]C[6a]F)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|C<4>,1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]B[5a]C[6a])(CC3){1|C<4>,1|F<1>,1|N<3>,2|H<1>,3|C<3>}	128.7180	0.000	1	128.7180	0.000	1	128.7180	0.000	1	128.7180	0.000	1	126.9753	9.752	3416	127.1378	9.836	5928
813	643	727	0:SP3_SP2_SP2	N[5a,6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-2:C[6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a])	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a](N[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	132.9690	0.000	1	132.9690	0.000	1	132.9690	0.000	1	132.9690	0.000	1	132.9690	0.000	1	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	127.1860	0.000	1	127.1860	0.000	1	127.1860	0.000	1	128.3955	2.926	2	128.3955	2.926	2	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[5a,6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,6|C<3>}	129.6050	0.000	1	129.6050	0.000	1	129.6050	0.000	1	128.3955	2.926	2	128.3955	2.926	2	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:N-2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(NC[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(NC[6a]){1|N<3>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	125.6460	0.000	1	125.6460	0.000	1	125.6460	0.000	1	125.6460	0.000	1	125.6460	0.000	1	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	123.7870	0.000	1	122.5555	3.033	2	122.5555	3.033	2	122.5555	3.033	2	122.8520	2.780	20	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	121.3240	0.000	1	122.5555	3.033	2	122.5555	3.033	2	122.5555	3.033	2	122.8520	2.780	20	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a,6a]2){1|C<2>,1|C<4>,9|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.8650	1.363	2	123.8650	1.859	2	123.8650	1.859	2	122.8849	2.917	18	122.8520	2.780	20	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<3>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.5765	0.834	4	122.5765	0.696	4	122.5765	0.696	4	122.8849	2.917	18	122.8520	2.780	20	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.4090	0.000	1	119.4090	0.000	1	122.9491	3.293	9	122.8849	2.917	18	122.8520	2.780	20	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.7075	0.639	2	123.7075	0.408	2	122.9491	3.293	9	122.8849	2.917	18	122.8520	2.780	20	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<2>,2|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2{2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.4685	2.790	2	122.4685	7.782	2	122.9491	3.293	9	122.8849	2.917	18	122.8520	2.780	20	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.4105	1.208	2	123.6953	0.595	4	122.9491	3.293	9	122.8849	2.917	18	122.8520	2.780	20	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	123.9800	0.011	2	123.6953	0.595	4	122.9491	3.293	9	122.8849	2.917	18	122.8520	2.780	20	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	124.5810	0.000	1	124.5810	0.000	1	124.5810	0.000	1	122.8849	2.917	18	122.8520	2.780	20	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:N[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a,6a](B[6a]N[5a,6a]C[6a])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a]){9|C<3>}	123.5740	0.000	1	123.5740	0.000	1	123.5740	0.000	1	122.8849	2.917	18	122.8520	2.780	20	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	122.8849	2.917	18	122.8520	2.780	20	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCO){2|C<3>,2|N<2>}	122.6260	0.000	1	122.6260	0.000	1	124.1860	4.867	2	124.1860	4.867	2	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:N[6a]-2:N[6a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCC){2|C<3>,2|N<2>}	125.7460	0.000	1	125.7460	0.000	1	124.1860	4.867	2	124.1860	4.867	2	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:B-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(BC[5a]N)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|B<3>,1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(BC[5a]N){4|C<3>}	124.6820	0.000	1	124.6820	0.000	1	124.6820	0.000	1	124.6820	0.000	1	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ge<2>,1|H<1>,3|C<3>,3|C<4>}	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	121.2030	0.000	1	121.2030	0.000	1	121.2030	0.000	1	123.4697	2.450	101	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(O){1|N<2>,2|C<4>,3|C<3>}	124.5080	0.000	1	124.5080	0.000	1	124.5080	0.000	1	123.4697	2.450	101	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	121.7770	0.000	1	121.7770	0.000	1	123.6554	1.882	93	123.4697	2.450	101	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	123.1755	0.183	2	123.5296	2.585	9	123.6554	1.882	93	123.4697	2.450	101	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	124.9450	0.177	3	123.5296	2.585	9	123.6554	1.882	93	123.4697	2.450	101	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,3|C<3>}	121.7107	0.600	3	123.5296	2.585	9	123.6554	1.882	93	123.4697	2.450	101	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){4|C<3>}	125.4480	0.000	1	123.5296	2.585	9	123.6554	1.882	93	123.4697	2.450	101	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O){2|C<3>,2|C<4>}	124.7383	1.520	3	124.7383	2.311	3	123.6554	1.882	93	123.4697	2.450	101	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	123.5135	1.207	60	123.6878	1.702	79	123.6554	1.882	93	123.4697	2.450	101	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	124.2061	1.512	18	123.6878	1.702	79	123.6554	1.882	93	123.4697	2.450	101	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	124.8170	0.000	1	123.6878	1.702	79	123.6554	1.882	93	123.4697	2.450	101	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:O-1:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(O){3|C<3>,3|C<4>}	120.8550	0.000	1	120.8550	0.000	1	123.6554	1.882	93	123.4697	2.450	101	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[6a]N[5a])(O){3|C<3>,3|C<4>}	124.2890	0.000	1	124.2890	0.000	1	124.2890	0.000	1	123.4697	2.450	101	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]O)2	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]O)2{1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|N<3>,1|O<1>,2|C<3>}	120.0974	1.100	5	120.0974	1.211	5	120.0974	1.211	5	123.4697	2.450	101	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|C<4>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<3>,2|H<1>,6|C<3>}	122.6030	0.000	1	122.6030	0.000	1	122.6030	0.000	1	120.6520	20.837	3	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|B<3>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	123.9170	0.000	1	123.9170	0.000	1	123.9170	0.000	1	120.6520	20.837	3	123.4154	2.995	107	123.4954	4.035	131
813	643	727	0:SP3_SP2_SP2	N[5a]	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[5a](N[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](N[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a](N[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	115.4360	0.000	1	115.4360	0.000	1	115.4360	0.000	1	120.6520	20.837	3	123.4154	2.995	107	123.4954	4.035	131
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[6,6a]-3:N[6]-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(C[5]C[5]Pd)	C[6,6a](N[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd)	C[5,6a](N[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(C[5]C[5]Pd){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](N[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd){1|N<3>,3|C<3>,3|H<1>}	C[5,6a](N[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	123.8180	1.294	2	123.8180	1.674	2	123.8180	1.674	2	123.8180	1.674	2	123.8180	1.674	2	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[3x6a]-3:C[5,6a]-3:	N[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	N[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,3|C<3>,3|H<1>}	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|N<2>,4|C<3>,5|H<1>}	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	120.7955	0.993	2	120.7955	0.993	2	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a,6a]	C[5,6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-4:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[6a,6a](N[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[6a,6a](N[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,2|O<1>,3|C<3>,4|H<1>}	120.0910	0.000	1	120.0910	0.000	1	120.0910	0.000	1	120.7955	0.993	2	120.7955	0.993	2	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(N[5]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a,6a]N[5])(N[5]C[5]Cd)(N[6a]N[6a])	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(N[5]C[5]){1|Cd<6>,1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a,6a]N[5])(N[5]C[5]Cd)(N[6a]N[6a]){1|H<1>,2|C<3>}	121.7990	0.000	1	121.7990	0.000	1	121.9815	0.067	2	121.9815	0.067	2	120.6981	2.811	17	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(N[5]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a,6a]N[5])(N[5]C[5]Mn)(N[6a]N[6a])	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(N[5]C[5]){1|Mn<6>,1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a,6a]N[5])(N[5]C[5]Mn)(N[6a]N[6a]){1|H<1>,2|C<3>}	122.1640	0.000	1	122.1640	0.000	1	121.9815	0.067	2	121.9815	0.067	2	120.6981	2.811	17	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|N<2>,3|C<3>,3|H<1>}	122.7100	0.000	1	122.7100	0.000	1	122.5945	0.027	2	122.4510	0.075	3	120.6981	2.811	17	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]Pd)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]Pd){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|N<2>,2|H<1>,3|C<3>}	122.4790	0.000	1	122.4790	0.000	1	122.5945	0.027	2	122.4510	0.075	3	120.6981	2.811	17	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5,6a]-3:N[5]-3:C[6a]-3:	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	122.1640	0.000	1	122.1640	0.000	1	122.1640	0.000	1	122.4510	0.075	3	120.6981	2.811	17	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:	N[5,6a]-3:N[6a]-2:S[5]-2:	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[6a]N[6a])(S[5]C[5])	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[6a]N[6a])(S[5]C[5]){2|C<3>,2|H<1>}	118.5780	0.000	2	118.5780	0.000	2	118.5780	0.000	2	118.5780	0.000	2	120.6981	2.811	17	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]N[5]Rh)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]N[5]Rh){2|H<1>,4|C<3>}	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Rh<6>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|Rh<6>,1|H<1>,3|C<3>}	121.9290	0.000	1	121.9290	0.000	1	121.9290	0.000	1	119.6848	1.777	5	120.6981	2.811	17	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]2)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	119.4230	0.049	2	119.4230	0.002	2	119.1238	0.271	4	119.6848	1.777	5	120.6981	2.811	17	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(S[5]C[5])	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(S[5]C[5]){2|C<4>,5|C<3>}	118.8245	0.672	2	118.8245	0.452	2	119.1238	0.271	4	119.6848	1.777	5	120.6981	2.811	17	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]Pd)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]Pd){1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,3|C<3>}	120.5160	0.000	1	120.5160	0.000	1	121.4705	2.014	4	121.4705	2.014	4	120.6981	2.811	17	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]Rh)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]Rh){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Rh<6>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	121.7887	1.554	3	121.7887	2.414	3	121.4705	2.014	4	121.4705	2.014	4	120.6981	2.811	17	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a,6a]	C[5,6a]	3:3:3:	3:3:3:	3:4:2:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-4:N[6a]-2:	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])	C[6a,6a](N[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a])	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5]){2|H<1>,7|C<3>}	C[6a,6a](N[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a]){1|O<1>,8|C<3>}	119.0900	0.000	1	119.0900	0.000	1	119.0900	0.000	1	119.0900	0.000	1	120.6981	2.811	17	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(O)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,3|C<3>,6|H<1>}	123.7258	0.233	4	123.7156	0.041	5	123.4176	0.341	10	123.4057	0.308	11	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(O)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	123.6750	0.000	1	123.7156	0.041	5	123.4176	0.341	10	123.4057	0.308	11	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(O)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	123.4290	0.288	3	123.4235	0.055	4	123.4176	0.341	10	123.4057	0.308	11	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(O)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	123.4070	0.000	1	123.4235	0.055	4	123.4176	0.341	10	123.4057	0.308	11	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(O)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	121.9040	0.000	1	121.9040	0.000	1	123.4176	0.341	10	123.4057	0.308	11	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(O)	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,2|O<1>,3|C<3>,4|H<1>}	123.2870	0.000	1	123.2870	0.000	1	123.2870	0.000	1	123.4057	0.308	11	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH){3|H<1>,5|C<3>}	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	3:6:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Ga[5,5]-6:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5,5]N[5,6]3Cl2)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]Ga[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Ga[5,5]C[6a])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5,5]N[5,6]3Cl2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](N[5,6a]C[5,6a,6a]Ga[5,5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,2|C<3>,3|N<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Ga[5,5]C[6a])(C[6a,6a]C[6a]2){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	118.3780	0.000	1	118.3780	0.000	1	118.3780	0.000	1	118.3399	0.158	10	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	3:6:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Ga[5]-6:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5]N[5,6]F3O)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]Ga[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5]N[5,6]F3O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a,6a]Ga[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>,3|F<1>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2){1|O<3>,3|F<1>,3|H<1>,4|C<3>}	118.7640	0.000	1	118.7640	0.000	1	118.7640	0.000	1	118.3399	0.158	10	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	3:6:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:In[5,5]-6:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5,5]N[5,6]3II)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]In[5,5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[5,5]C[6a])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5,5]N[5,6]3II)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](N[5,6a]C[5,6a,6a]In[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|I<1>,3|N<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[5,5]C[6a])(C[6a,6a]C[6a]2){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	119.1510	0.000	1	119.1510	0.000	1	119.1510	0.000	1	118.3399	0.158	10	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	3:6:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:In[5]-6:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5]N[5,6]ClO3)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]In[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]In[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5]N[5,6]ClO3)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a,6a]In[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,3|O<2>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]In[5])(C[6a,6a]C[6a]2){1|Cl<1>,3|H<1>,3|O<2>,4|C<3>}	118.3830	0.000	1	118.3830	0.000	1	118.3830	0.000	1	118.3399	0.158	10	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	3:6:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Si[3x5]-6:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]Si[3x5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Si[3x5]C[6a])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H){10|C<3>,1|H<1>}	C[6a](N[5,6a]C[5,6a,6a]Si[3x5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>,3|N<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Si[3x5]C[6a])(C[6a,6a]C[6a]2){2|N<3>,2|O<2>,3|H<1>,4|C<3>}	118.2195	0.073	2	118.2195	0.005	2	118.2195	0.005	2	118.3399	0.158	10	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	3:6:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]CF3)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]CF3)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>,3|F<1>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){1|C<2>,3|F<1>,3|H<1>,4|C<3>}	117.8930	0.091	2	117.8930	0.008	2	118.0710	0.087	4	118.3399	0.158	10	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	3:6:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]Cl4)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]Cl4)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H){4|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){4|Cl<1>,3|H<1>,4|C<3>}	117.9990	0.000	1	117.9990	0.000	1	118.0710	0.087	4	118.3399	0.158	10	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	3:6:3:	3:3:1:	3:3:3:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]N[5a]2NN)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]N[5a]2NN)(C[6a]C[6a]H){1|H<1>,4|C<3>,4|N<2>}	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>,3|N<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	118.4990	0.000	1	118.4990	0.000	1	118.0710	0.087	4	118.3399	0.158	10	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	6:3:3:	3:3:1:	3:3:3:	In[3x4,5,3x6]-6:C[5,6a,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6,6a]-3:C[6a,6a]-3:	N[5,6a](In[3x4,5,3x6]S[3x4,3x6]3N[5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](N[5,6a]In[3x4,5,3x6]C[5,6a,6a])(C[6a]C[6a]H)(H)	C[5,6a,6a](N[5,6a]In[3x4,5,3x6]C[6a])(C[5,6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)	N[5,6a](In[3x4,5,3x6]S[3x4,3x6]3N[5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H){3|In<6>,1|H<1>,4|C<3>}	C[6a](N[5,6a]In[3x4,5,3x6]C[5,6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,3|S<3>}	C[5,6a,6a](N[5,6a]In[3x4,5,3x6]C[6a])(C[5,6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	119.2145	0.066	2	119.2145	0.004	2	119.2145	0.004	2	119.1857	0.005	3	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a,6a]	6:3:3:	3:3:1:	3:3:3:	In[4,5,6]-6:C[5,6a,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	N[5,6a](In[4,5,6]Se[4,6]N[5,6]Se[4]Se[6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]In[4,5,6])(C[6a]C[6a]H)(H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[4,5,6]C[6a])(C[6a,6a]C[6a]2)	N[5,6a](In[4,5,6]Se[4,6]N[5,6]Se[4]Se[6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H){1|In<5>,2|In<4>,1|H<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a,6a]In[4,5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|Se<3>,2|Se<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[4,5,6]C[6a])(C[6a,6a]C[6a]2){1|Cl<1>,1|Se<3>,2|Se<2>,3|H<1>,4|C<3>}	119.1280	0.000	1	119.1280	0.000	1	119.1280	0.000	1	119.1857	0.005	3	120.7275	6.186	25	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,3|H<1>}	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<3>,3|H<1>}	121.3280	0.556	2	121.3280	0.309	2	121.3280	0.309	2	121.3280	0.309	2	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O)	C[5,6a](N[5,6a]C[6a]N[5])(N[5]C[5]Cu)(N[6a]C[6a])	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]){1|Cu<5>,1|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5,6a](N[5,6a]C[6a]N[5])(N[5]C[5]Cu)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	124.0265	0.302	2	124.0265	0.091	2	124.1568	0.212	8	123.7301	0.528	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O)	C[5,6a](N[5,6a]C[6a]N[5])(N[5]C[5]Ni)(N[6a]C[6a])	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]){1|Ni<6>,1|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5,6a](N[5,6a]C[6a]N[5])(N[5]C[5]Ni)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	124.0340	0.124	3	124.0340	0.015	3	124.1568	0.212	8	123.7301	0.528	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O)	C[5,6a](N[5,6a]C[6a]N[5])(N[5]C[5]Pd)(N[6a]C[6a])	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]){1|Pd<4>,1|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5,6a](N[5,6a]C[6a]N[5])(N[5]C[5]Pd)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.6000	0.000	1	123.6000	0.000	1	124.1568	0.212	8	123.7301	0.528	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O)	C[5,6a](N[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a])	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]){1|Pt<4>,1|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5,6a](N[5,6a]C[6a]N[5])(N[5]C[5]Pt)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	124.7495	0.520	2	124.7495	0.270	2	124.1568	0.212	8	123.7301	0.528	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5])	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,2|H<1>}	122.7273	0.112	3	122.7273	0.013	3	122.7273	0.013	3	123.7301	0.528	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:N[5,6a]-3:N[6a]-2:	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(Se[5]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]Se[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]Se[5])(N[6a]C[6a,6a])	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(Se[5]C[5,6a]){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]Se[5])(O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]Se[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,4|C<3>}	123.5950	0.642	3	123.5950	0.412	3	123.5950	0.412	3	123.7301	0.528	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){2|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](N[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	122.7820	0.000	1	122.7820	0.000	1	122.7820	0.000	1	122.6410	0.103	3	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>}	122.2740	0.000	1	122.5705	0.176	2	122.5705	0.176	2	122.6410	0.103	3	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|N<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>}	122.8670	0.000	1	122.5705	0.176	2	122.5705	0.176	2	122.6410	0.103	3	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a]-3:N[5,6a]-3:C[5]-4:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]O[5])(O)	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]O[5])(C[5]C[5]HH)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]O[5])(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]O[5])(C[5]C[5]HH){1|O<1>,2|H<1>,4|C<3>}	128.3070	0.000	1	128.3070	0.000	1	128.3070	0.000	1	128.3070	0.000	1	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:2:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a]-3:C[6a]-3:C-4:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]C)(N[5]C[5])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]){1|C<3>,3|H<1>}	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<3>,1|H<1>,2|C<4>}	121.4748	0.101	5	121.4748	0.010	5	121.4748	0.010	5	121.4748	0.010	5	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a]-3:C[6a]-3:C-4:	N[5,6]-3:N[5,6a]-3:N[6a]-2:	N[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]C)(N[5]C[5,6])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]N[5])(N[6a]C[6a])	N[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]C)(N[5]C[5,6]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]N[5])(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	122.6050	0.000	1	122.6050	0.000	1	122.6050	0.000	1	122.8200	0.154	3	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:2:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a]-3:C[6a]-3:C-4:	N[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(S[5]C[5])	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3)	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5])	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(S[5]C[5]){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	122.9275	0.489	2	122.9275	0.239	2	122.9275	0.239	2	122.8200	0.154	3	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:N[6a]-2:S-1:	N[5,6a]-3:N[6a]-2:S[5]-2:	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]N[6a]S)(C[5]C[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(S)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(S[5]C[5])	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]N[6a]S)(C[5]C[5]H){1|C<3>,1|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(S){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(S[5]C[5]){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	119.5440	0.000	1	119.5440	0.000	1	119.5440	0.000	1	119.5440	0.000	1	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:2:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:N[6a]-2:O-1:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C)	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]S)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C){1|C<3>,1|S<4>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]S){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	118.7950	0.126	2	118.7950	0.016	2	118.7950	0.016	2	118.7950	0.016	2	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:N[6a]-2:O[5]-2:	N[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5])	N[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5]){2|C<3>,3|H<1>}	119.7510	0.000	1	119.7510	0.000	1	119.7510	0.000	1	122.1000	11.036	2	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:N[5]-2:N[6a]-2:	N[5,6a](C[5,6a]N[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]N[5,6]C[6a])(N[5]C[5,6])(N[6a]C[6a])	N[5,6a](C[5,6a]N[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5,6a](N[5,6a]N[5,6]C[6a])(N[5]C[5,6])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.4490	0.000	1	124.4490	0.000	1	124.4490	0.000	1	122.1000	11.036	2	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:N[6a]-2:C[5]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O){1|O<1>,4|C<3>}	122.5890	0.054	3	122.5890	0.003	3	122.5890	0.003	3	121.7870	2.575	4	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	N[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	119.3810	0.000	1	119.3810	0.000	1	119.3810	0.000	1	121.7870	2.575	4	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:2:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CC)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	123.0770	0.000	1	123.0770	0.000	1	123.0770	0.000	1	123.0770	0.000	1	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]O)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]H)(O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a])	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,3|C<3>}	122.5250	0.000	1	122.5250	0.000	1	122.5250	0.000	1	121.9411	1.700	8	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|C<3>,1|C<4>,3|H<1>}	122.2340	0.000	1	122.2340	0.000	1	122.6180	0.091	5	121.9411	1.700	8	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	122.3840	0.000	1	122.3840	0.000	1	122.6180	0.091	5	121.9411	1.700	8	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]N)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]S[5])	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]N){1|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|N<2>,2|H<1>}	122.9780	0.000	1	122.9780	0.000	1	122.6180	0.091	5	121.9411	1.700	8	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]S)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]S[5])	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]S){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<1>,1|S<2>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]S[5]){1|C<3>,1|S<1>,2|H<1>}	122.7470	0.000	2	122.7470	0.000	2	122.6180	0.091	5	121.9411	1.700	8	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	120.6740	0.000	1	120.6740	0.000	1	120.6740	0.000	1	121.9411	1.700	8	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){2|H<1>,3|C<3>}	119.2400	0.000	1	119.2400	0.000	1	119.2400	0.000	1	121.9411	1.700	8	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]S)(C[6a]C[6a]C)	N[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<1>,2|C<4>,3|C<3>}	C[6a](N[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]S)(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	123.9180	0.000	1	123.9180	0.000	1	123.9180	0.000	1	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:N[5,6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H){1|H<1>,1|O<1>,5|C<3>}	123.7490	0.000	1	123.7490	0.000	1	123.7490	0.000	1	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6]B[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6]C[5,6]B[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,3|H<1>}	121.7165	0.367	2	121.7165	0.135	2	121.3260	0.525	3	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	120.5450	0.000	1	120.5450	0.000	1	121.3260	0.525	3	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	121.8740	0.096	2	121.8740	0.009	2	121.2862	0.208	16	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	121.2023	0.423	14	121.2023	0.179	14	121.2862	0.208	16	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	120.9960	0.000	1	121.1160	0.029	2	120.8470	0.094	5	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	121.2360	0.000	1	121.1160	0.029	2	120.8470	0.094	5	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){2|H<1>,3|C<3>}	120.9220	0.000	1	120.9220	0.000	1	120.8470	0.094	5	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	120.4690	0.000	1	120.4690	0.000	1	120.8470	0.094	5	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	120.6120	0.000	1	120.6120	0.000	1	120.8470	0.094	5	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|O<1>}	123.9680	0.000	1	123.9680	0.000	1	123.6620	0.187	2	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|O<1>}	123.3560	0.000	1	123.3560	0.000	1	123.6620	0.187	2	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	121.3148	0.448	4	121.3148	0.201	4	121.3702	0.166	5	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,3|C<3>}	121.5920	0.000	1	121.5920	0.000	1	121.3702	0.166	5	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Fe)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Fe){1|C<3>,1|C<4>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Fe<5>,1|C<3>,3|H<1>}	120.1200	0.000	1	120.1200	0.000	1	121.2342	1.106	17	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,3|H<1>}	120.9038	1.165	5	120.9038	1.358	5	121.2342	1.106	17	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Ir)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Ir){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ir<6>,2|C<3>,2|H<1>}	122.3320	1.365	2	122.3320	1.862	2	121.2342	1.106	17	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Ir)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Ir){2|C<3>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ir<6>,2|C<3>,2|H<1>}	121.7920	0.161	2	121.7920	0.026	2	121.2342	1.106	17	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	121.4125	0.216	2	121.4125	0.047	2	121.2342	1.106	17	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<3>,1|C<4>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	119.7970	0.071	2	119.7970	0.005	2	121.2342	1.106	17	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	121.8920	0.080	3	121.8920	0.006	3	121.2342	1.106	17	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	120.7570	0.000	1	120.7570	0.000	1	121.4348	0.829	13	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,4|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	120.2500	0.000	1	120.2500	0.000	1	121.4348	0.829	13	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	121.6150	0.000	1	121.6150	0.000	1	121.4348	0.829	13	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|C<3>,3|C<4>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	122.9520	0.103	2	122.9520	0.011	2	121.4348	0.829	13	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){3|H<1>,4|C<3>}	122.4370	0.000	1	122.4370	0.000	1	121.4348	0.829	13	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,4|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	120.9405	0.749	2	121.1182	0.269	5	121.4348	0.829	13	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	121.2367	0.452	3	121.1182	0.269	5	121.4348	0.829	13	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd){1|H<1>,2|C<3>,2|C<4>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	121.5800	0.000	1	121.5800	0.000	1	121.4348	0.829	13	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	120.5180	0.000	1	120.5180	0.000	1	121.4348	0.829	13	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:N[5]-3:C[6a]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.7960	0.000	1	121.7960	0.000	1	121.7960	0.000	1	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]C)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]C){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	125.3480	0.000	1	125.3480	0.000	1	125.3480	0.000	1	121.4987	1.133	65	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,5])(O)	C[5,6a](N[5,6a]N[5,5]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH)	N[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a,6a]O){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,5])(O){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](N[5,6a]N[5,5]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	125.0630	0.000	1	125.0630	0.000	1	125.0630	0.000	1	125.0630	0.000	1	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5]-4:N[6a]-2:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(N[6a]C[6a,6a])	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(N[6a]C[6a,6a]){1|O<1>,4|C<3>}	122.6280	0.177	2	122.6280	0.031	2	122.4698	0.058	4	122.4698	0.058	4	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5]-4:N[6a]-2:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6a]C[6a,6a])	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6a]C[6a,6a]){1|C<4>,1|F<1>,1|O<1>,5|C<3>}	122.1650	0.000	1	122.1650	0.000	1	122.4698	0.058	4	122.4698	0.058	4	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5]-4:N[6a]-2:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(N[6a]C[6a,6a])	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(N[6a]C[6a,6a]){1|O<1>,6|C<3>}	122.4580	0.000	1	122.4580	0.000	1	122.4698	0.058	4	122.4698	0.058	4	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:1:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,5]-4:N[5,6a]-3:N[6a]-2:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	122.2950	0.000	1	122.2950	0.000	1	122.2950	0.000	1	122.2950	0.000	1	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:N-2:	N[5,6a]-3:C[5,6a]-3:S[5]-2:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(NH)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(S[5]C[5,6a])	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N){1|C<2>,1|H<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(NH){1|O<2>,1|S<2>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(S[5]C[5,6a]){1|C<4>,1|N<2>,1|O<2>,4|C<3>}	122.6110	0.000	1	122.6110	0.000	1	122.6110	0.000	1	121.9590	0.850	2	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:N-2:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]N)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]C)(NH)	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a])	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]C)(NH){1|N<2>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C)(N[6a]C[6a]){1|N<2>,4|C<3>}	121.3070	0.000	1	121.3070	0.000	1	121.3070	0.000	1	121.9590	0.850	2	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:2:2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C-4:	N[5,6a]-3:N[5]-2:N[6a]-2:	N[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]C)	C[6a](N[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C[5,6a](N[5,6a]C[5,6]C[6a])(N[5]N[5,6])(N[6a]C[6a])	N[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](N[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,3|N<2>}	C[5,6a](N[5,6a]C[5,6]C[6a])(N[5]N[5,6])(N[6a]C[6a]){1|C<3>,1|N<2>,3|C<4>}	121.3130	0.168	2	121.3130	0.028	2	121.3130	0.028	2	121.3130	0.028	2	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:C-4:	N[5,6a]-3:C[6a]-3:N[5]-2:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]N[5]Rh)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]N[5]Rh){2|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Rh<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	120.7650	0.000	1	120.7650	0.000	1	120.7650	0.000	1	121.0065	0.117	2	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:C-4:	N[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	121.2480	0.000	1	121.2480	0.000	1	121.2480	0.000	1	121.0065	0.117	2	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5a,6a]-3:N[5,6a]-3:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(B[5]C[6a]C[5])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]B[5])(CH3)	C[5,6a](N[5,6a]C[6a]B[5])(C[6a]N[5a,6a]C)(C[5]C[6a]C[5])	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(B[5]C[6a]C[5]){1|C<4>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]B[5])(CH3){1|B<3>,6|C<3>}	C[5,6a](N[5,6a]C[6a]B[5])(C[6a]N[5a,6a]C)(C[5]C[6a]C[5]){1|B<3>,1|C<4>,5|C<3>}	118.7920	0.000	1	118.7920	0.000	1	118.7920	0.000	1	119.9032	1.057	4	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]Rh)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]Rh){1|C<3>,2|C<4>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]H){1|Rh<6>,1|C<3>,1|H<1>,2|C<4>}	120.7775	0.001	2	120.7775	0.000	2	120.7775	0.000	2	119.9032	1.057	4	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:P-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]P)(C[5]N[5]Pd)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(PCCO)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]P)(C[5]N[5]Pd){2|C<3>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(PCCO){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,1|P<4>,2|C<3>}	119.2660	0.000	1	119.2660	0.000	1	119.2660	0.000	1	119.9032	1.057	4	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:N[6a]-2:S[5]-2:	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]C[5]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(S[5]C[5])	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]C[5]CH){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(S[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.3070	0.000	1	121.3070	0.000	1	121.3070	0.000	1	121.4338	0.298	4	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:N[6a]-2:S[5]-2:	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(S[5]C[5])	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(S[5]C[5]){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	120.7130	0.000	1	120.7130	0.000	1	121.4760	0.437	3	121.4338	0.298	4	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:N[6a]-2:S[5]-2:	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]N[6a])(S[5]C[5])	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]N[6a])(S[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	121.8575	0.019	2	121.8575	0.000	2	121.4760	0.437	3	121.4338	0.298	4	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]HO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(N[5]C[5]H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]HO){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|N<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	125.0380	0.000	1	125.0380	0.000	1	125.0380	0.000	1	123.9533	1.065	3	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:N[6a]-2:C[5]-3:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]C)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	123.8380	0.000	1	123.4110	0.365	2	123.4110	0.365	2	123.9533	1.065	3	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:N[6a]-2:C[5]-3:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]C)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	122.9840	0.000	1	123.4110	0.365	2	123.4110	0.365	2	123.9533	1.065	3	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]C[5]HH)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|N<2>,1|S<2>,2|H<1>,3|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(C[5]C[5]HH){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	124.5820	0.000	1	124.5820	0.000	1	124.5820	0.000	1	123.6350	0.439	5	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]2O)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]2O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	122.7410	0.000	1	122.7410	0.000	1	123.3982	0.212	4	123.6350	0.439	5	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CH)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]CH){1|O<1>,2|C<3>,4|H<1>}	123.7165	0.025	2	123.7165	0.001	2	123.3982	0.212	4	123.6350	0.439	5	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:2:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:N[6a]-2:C[5]-4:	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HO)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]HO){1|O<1>,2|C<3>,4|H<1>}	123.4190	0.000	1	123.4190	0.000	1	123.3982	0.212	4	123.6350	0.439	5	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a])	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	123.7840	0.000	1	123.7840	0.000	1	123.3955	0.302	2	123.5765	0.723	17	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a])	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	123.0070	0.000	1	123.0070	0.000	1	123.3955	0.302	2	123.5765	0.723	17	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:N[5,6a]-3:N[6a]-2:	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	123.0390	0.000	1	123.0390	0.000	1	123.1390	0.020	2	123.5765	0.723	17	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:N[5,6a]-3:N[6a]-2:	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,1|O<2>,5|C<3>}	123.2390	0.000	1	123.2390	0.000	1	123.1390	0.020	2	123.5765	0.723	17	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:N[5,6a]-3:N[5]-2:	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[6a]C[5])(N[5]C[5])	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[6a]C[5])(N[5]C[5]){1|O<1>,3|C<3>,5|H<1>}	125.2460	0.000	1	125.2460	0.000	1	125.2460	0.000	1	123.5765	0.723	17	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,4|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,3|C<3>,3|H<1>}	123.5075	0.273	4	123.5075	0.075	4	123.7862	0.484	10	123.5765	0.723	17	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<2>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	124.8990	0.000	1	124.8535	0.004	2	123.7862	0.484	10	123.5765	0.723	17	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<3>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	124.8080	0.000	1	124.8535	0.004	2	123.7862	0.484	10	123.5765	0.723	17	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:C[6a]-3:S[5]-2:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,4|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	123.5312	0.652	4	123.5312	0.425	4	123.7862	0.484	10	123.5765	0.723	17	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	122.3115	0.159	2	122.3115	0.025	2	122.3115	0.025	2	123.5765	0.723	17	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]N[5]CO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]N[5]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O){1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	125.1120	0.000	1	125.1120	0.000	1	125.1120	0.000	1	124.8476	1.200	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6,6a]-3:N[5,6a]-3:O-1:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6,6a]O)(C[5]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[5,6]C[5,6]N[6])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	N[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6,6a]O)(C[5]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]N[6])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	124.0885	0.924	2	124.0885	0.854	2	124.0885	0.854	2	124.8476	1.200	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5,6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5]){1|O<1>,2|H<1>,7|C<3>}	125.7710	0.000	1	125.7710	0.000	1	125.7710	0.000	1	124.8476	1.200	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:N[5,6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[6a]C[5])(N[5]C[5]Cu)	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|Cu<5>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[6a]C[5])(N[5]C[5]Cu){1|O<1>,3|C<3>,5|H<1>}	126.8710	0.000	1	126.8710	0.000	1	126.8710	0.000	1	124.8476	1.200	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5])	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]CC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,5|C<3>}	124.0600	0.000	1	124.0600	0.000	1	124.0600	0.000	1	124.8476	1.200	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){2|H<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	124.0220	0.000	1	123.6535	0.272	2	123.6535	0.272	2	124.8476	1.200	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){2|H<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){3|C<3>,3|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,4|C<3>}	123.2850	0.000	1	123.6535	0.272	2	123.6535	0.272	2	124.8476	1.200	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH){2|C<3>,4|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	124.6290	0.000	1	124.6290	0.000	1	125.3687	0.969	3	124.8476	1.200	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	124.9910	0.000	1	124.9910	0.000	1	125.3687	0.969	3	124.8476	1.200	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	126.4860	0.000	1	126.4860	0.000	1	125.3687	0.969	3	124.8476	1.200	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:C[6a]-3:S[5]-3:	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	123.7610	0.000	1	123.7610	0.000	1	123.7610	0.000	1	124.8476	1.200	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:N[5]-3:N[6a]-3:	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]2)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]2){2|O<1>,4|H<1>,5|C<3>}	125.7930	0.000	1	125.7930	0.000	1	125.7930	0.000	1	124.8476	1.200	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:N[6a]-3:O-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	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[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|O<1>,4|H<1>}	124.9090	0.000	1	124.9090	0.000	1	124.9090	0.000	1	124.8476	1.200	14	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	124.1637	0.369	4	124.1637	0.136	4	124.1637	0.136	4	124.4107	0.229	6	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a]-3:N[5,6a]-3:C[5]-4:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])(C[5]C[5]HH)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	124.8610	0.000	1	124.8610	0.000	1	124.8610	0.000	1	124.4107	0.229	6	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]Cl)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[6a]Cl)(C[5]C[5]HH)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|Cl<1>,1|N<2>,4|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]Cl)(O){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[6a]Cl)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	124.9480	0.000	1	124.9480	0.000	1	124.9480	0.000	1	124.4107	0.229	6	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5,5]-4:C[6a]-3:	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]O)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6,6a]H)	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6,6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	124.1190	0.000	1	124.1190	0.000	1	124.1190	0.000	1	124.2125	0.017	2	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:3:4:	3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:C[5,5]-4:C[6a]-3:	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<2>,1|C<3>,2|O<2>,3|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	124.3060	0.000	1	124.3060	0.000	1	124.3060	0.000	1	124.2125	0.017	2	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5,6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5,6])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,6]C[6a])	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5,6])(O){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,6]C[6a]){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	125.2320	0.000	1	125.2320	0.000	1	125.2320	0.000	1	124.9243	0.227	7	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	124.4330	0.000	1	124.4330	0.000	1	124.4330	0.000	1	124.9243	0.227	7	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]C)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	125.4730	0.000	1	125.4730	0.000	1	124.9610	0.255	5	124.9243	0.227	7	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	124.8330	0.480	4	124.8330	0.230	4	124.9610	0.255	5	124.9243	0.227	7	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	3:4:3:	3:3:1:	4:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:N[6a]-3:O-1:	C[5,5]-4:N[5,6a]-3:C[6a]-3:	N[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]O)	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O)	C[5,6a](C[5,5]C[5,5]O[5]H)(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]O){1|C<3>,2|O<2>,4|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[5,6a](C[5,5]C[5,5]O[5]H)(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	122.2420	0.000	1	122.2420	0.000	1	122.2420	0.000	1	122.2420	0.000	1	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:N[6a]-2:O[5]-2:	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5])	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](N[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.7800	0.000	1	118.7800	0.000	1	118.7837	0.002	3	118.7837	0.002	3	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:N[6a]-2:O[5]-2:	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5])	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	C[5,6a](N[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	118.8290	0.000	1	118.7855	0.004	2	118.7837	0.002	3	118.7837	0.002	3	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:2:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:N[6a]-2:O[5]-2:	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5])	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	C[5,6a](N[5,6a]C[5,5]C[6a])(N[6a]C[6a])(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	118.7420	0.000	1	118.7855	0.004	2	118.7837	0.002	3	118.7837	0.002	3	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:O-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]N[5])(C[6a]C[6a]O)	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)	C[5,6a](N[5,6a]C[5,5]C[6a])(N[5]C[5,5]C[6a])(N[6a]C[6a])	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]N[5])(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|C<4>}	C[5,6a](N[5,6a]C[5,5]C[6a])(N[5]C[5,5]C[6a])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	122.3580	0.082	2	122.3580	0.007	2	122.3580	0.007	2	122.3580	0.007	2	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5,6a]	C[6a]	C[5,6a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a]-3:N[5,6a]-3:C[5]-4:	N[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5,5])(O)	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)	N[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5,5])(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH){1|O<1>,1|O<2>,2|C<4>,5|C<3>}	123.1860	0.000	1	123.1860	0.000	1	123.1860	0.000	1	123.1860	0.000	1	122.4851	3.068	192	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6]	C[6,6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[6,6,6a]-3:C[6,6a,6a]-3:N[5a,6,6]-3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	N[5a,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6]C[6,6a]C[5a])2	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a,6a]C[6,6a,6a]2)(N[5a,6,6]C[5a,6]2)	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6]C[6,6a]C[5a])2{8|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a,6a]C[6,6a,6a]2)(N[5a,6,6]C[5a,6]2){2|N<3>,7|C<3>}	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	123.9030	0.000	1	123.9030	0.000	1	123.5925	0.193	2	124.5473	2.832	3	124.5473	2.832	3	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6]	C[6,6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[6,6,6a]-3:C[6,6a,6a]-3:N[5a,6,6]-3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	N[5a,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6]C[6,6a]C[5a])2	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a,6a]C[6,6a,6a]2)(N[5a,6,6]C[5a,6]2)	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6]C[6,6a]C[5a])2{8|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a,6a]C[6,6a,6a]2)(N[5a,6,6]C[5a,6]2){2|N<3>,7|C<3>}	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	123.2820	0.000	1	123.2820	0.000	1	123.5925	0.193	2	124.5473	2.832	3	124.5473	2.832	3	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6]	C[6,6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[5a,6]-3:N[5a,6]-3:	N[5a,6,6]-3:C[6,6a]-3:C[6,6a]-3:	N[5a,6,6]-3:C[5a]-3:C[6]-3:	N[5a,6,6](C[6,6,6a]C[6,6a]2)(C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])	C[6,6,6a](N[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])2	C[5a,6](N[5a,6,6]C[6,6,6a]N[5a,6])(C[5a]C[5a]H)(C[6]C[6]C)	N[5a,6,6](C[6,6,6a]C[6,6a]2)(C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](N[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])2{1|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6]C[6,6,6a]N[5a,6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	126.4570	0.000	1	126.4570	0.000	1	126.4570	0.000	1	124.5473	2.832	3	124.5473	2.832	3	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a,6a]-3:C[5a,6]-3:	C[6,6a,6a]-3:N[5a,6,6a]-3:C[6,6a,6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	N[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a,6a]C[6,6a,6a]2)(C[5a,6]C[6,6a]C[5a])	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a,6a]C[6,6a,6a]2)	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a,6a]C[6,6a,6a]2)(C[5a,6]C[6,6a]C[5a]){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a,6a]C[6,6a,6a]2){2|N<3>,7|C<3>}	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	122.0080	0.000	1	122.0080	0.000	1	122.0080	0.000	1	124.1117	1.279	7	124.1117	1.279	7	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[5a]C[6a])	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[5a]C[6a]){1|H<1>,7|C<3>}	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	125.1620	0.000	1	125.1620	0.000	1	125.1620	0.000	1	124.1117	1.279	7	124.1117	1.279	7	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	N[5a,6,6a]-3:C[6,6a,6a]-3:C[6,6,6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	N[5a,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a,6a]C[6,6a,6a]2)(C[6,6,6a]C[6,6,6a]2)	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a,6a]C[6,6a,6a]2)(C[6,6,6a]C[6,6,6a]2){2|N<3>,7|C<3>}	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	124.8520	0.000	1	124.8520	0.000	1	124.8520	0.000	1	124.1117	1.279	7	124.1117	1.279	7	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	N[5a,6,6a]-3:C[6]-3:C[5a]-3:	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]C[6])(C[5a]C[5a]H)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|H<1>,6|C<3>}	123.1560	0.000	1	123.1560	0.000	1	123.1560	0.000	1	124.1117	1.279	7	124.1117	1.279	7	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	N[5a,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,7|C<3>}	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	124.5347	0.271	3	124.5347	0.073	3	124.5347	0.073	3	124.1117	1.279	7	124.1117	1.279	7	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a,6a]-3:C[5a,6]-3:	C[6,6a,6a]-3:N[5a,6,6a]-3:C[6,6a,6a]-3:	N[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	N[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a,6a]C[6,6a,6a]2)(C[5a,6]C[6,6a]C[5a])	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a,6a]C[6,6a,6a]2)	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a,6a]C[6,6a,6a]2)(C[5a,6]C[6,6a]C[5a]){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a,6a]C[6,6a,6a]2){2|N<3>,7|C<3>}	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	125.2890	0.000	1	125.2890	0.000	1	125.2890	0.000	1	123.9897	1.716	7	123.9897	1.716	7	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	N[5a,6,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[5a]C[6a])	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a]2)	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[5a]C[6a]){1|H<1>,7|C<3>}	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	123.9420	0.000	1	123.9420	0.000	1	123.9420	0.000	1	123.9897	1.716	7	123.9897	1.716	7	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	N[5a,6,6a]-3:C[6,6a,6a]-3:C[6,6,6a]-3:	N[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	N[5a,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a,6a]C[6,6a,6a]2)(C[6,6,6a]C[6,6,6a]2)	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a,6a]C[6,6a,6a]2)(C[6,6,6a]C[6,6,6a]2){2|N<3>,7|C<3>}	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	122.6630	0.000	1	122.6630	0.000	1	122.6630	0.000	1	123.9897	1.716	7	123.9897	1.716	7	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	N[5a,6,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	121.7570	0.000	1	121.7570	0.000	1	121.7570	0.000	1	123.9897	1.716	7	123.9897	1.716	7	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	N[5a,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	N[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,7|C<3>}	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	124.7590	0.207	3	124.7590	0.043	3	124.7590	0.043	3	123.9897	1.716	7	123.9897	1.716	7	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a])	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	123.9990	0.000	1	124.5395	0.584	2	124.3713	0.377	3	124.3237	0.260	4	124.3237	0.260	4	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a])	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	125.0800	0.000	1	124.5395	0.584	2	124.3713	0.377	3	124.3237	0.260	4	124.3237	0.260	4	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a])	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){2|H<1>,6|C<3>}	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	124.0350	0.000	1	124.0350	0.000	1	124.3713	0.377	3	124.3237	0.260	4	124.3237	0.260	4	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	N[5a,6,6a]-3:C[6a,6a]-3:C[6]-3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a,6a]C[6])	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H)	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a,6a]C[6]){2|H<1>,6|C<3>}	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H){2|H<1>,6|C<3>}	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	124.1810	0.000	1	124.1810	0.000	1	124.1810	0.000	1	124.3237	0.260	4	124.3237	0.260	4	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	124.9140	0.000	1	124.9140	0.000	1	124.7927	0.024	3	124.9265	0.088	4	124.9265	0.088	4	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.6160	0.000	1	124.6160	0.000	1	124.7927	0.024	3	124.9265	0.088	4	124.9265	0.088	4	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){2|H<1>,6|C<3>}	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.8480	0.000	1	124.8480	0.000	1	124.7927	0.024	3	124.9265	0.088	4	124.9265	0.088	4	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	N[5a,6,6a]-3:C[6a,6a]-3:C[6]-3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a,6a]C[6])	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a,6a]C[6]){2|H<1>,6|C<3>}	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H){2|H<1>,6|C<3>}	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	125.3280	0.000	1	125.3280	0.000	1	125.3280	0.000	1	124.9265	0.088	4	124.9265	0.088	4	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	N[5a,6](C[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6,6a])	N[5a,6](C[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6,6a]){8|C<3>}	118.8230	0.000	1	118.8230	0.000	1	118.8230	0.000	1	120.2137	8.457	3	120.2137	8.457	3	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[5a,6,6a](N[5a,6]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]Si[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|Si<4>,2|H<1>,6|C<3>}	C[6,6a](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5a,6,6a](N[5a,6]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]Si[6]){2|C<4>,2|H<1>,5|C<3>}	123.5560	0.000	1	123.5560	0.000	1	123.5560	0.000	1	120.2137	8.457	3	120.2137	8.457	3	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a])	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	118.2620	0.000	1	118.2620	0.000	1	118.2620	0.000	1	120.2137	8.457	3	120.2137	8.457	3	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:2:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]N[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]N[6]){1|H<1>,2|C<3>}	121.3620	0.000	1	121.3620	0.000	1	121.3620	0.000	1	124.7820	23.393	2	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:2:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-2:S[6]-2:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]S[6])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]N[5a])(S[6]C[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]S[6])(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]N[5a])(S[6]C[6]){3|C<3>}	128.2020	0.000	1	128.2020	0.000	1	128.2020	0.000	1	124.7820	23.393	2	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:2:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]C[6]H){1|S<1>,1|S<2>,2|C<3>}	123.5870	0.000	1	123.5870	0.000	1	123.5870	0.000	1	123.5870	0.000	1	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]O[6]N)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]O[6]N){1|H<1>,4|C<3>}	122.4950	0.000	1	122.4950	0.000	1	122.4950	0.000	1	124.8805	3.261	4	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]N)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]N){4|C<3>}	124.4680	0.000	1	124.4680	0.000	1	124.4680	0.000	1	124.8805	3.261	4	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C){2|O<1>,4|C<3>}	126.3420	0.000	1	126.3420	0.000	1	126.2795	0.008	2	124.8805	3.261	4	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]N[5a]H)(N[6]S[6]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]N[5a]H)(N[6]S[6]C){2|C<3>,2|O<1>}	126.2170	0.000	1	126.2170	0.000	1	126.2795	0.008	2	124.8805	3.261	4	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){1|O<2>,2|H<1>,4|C<3>}	124.6090	0.000	1	124.6090	0.000	1	124.6090	0.000	1	123.7517	0.513	6	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6]-4:	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6]C[6]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	124.0300	0.000	1	124.0300	0.000	1	124.0300	0.000	1	123.7517	0.513	6	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){1|O<2>,2|H<1>,4|C<3>}	124.0460	0.000	1	124.0510	0.000	2	123.7250	0.319	3	123.7517	0.513	6	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){1|C<4>,2|H<1>,4|C<3>}	124.0560	0.000	1	124.0510	0.000	2	123.7250	0.319	3	123.7517	0.513	6	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,2|H<1>,4|C<3>}	123.0730	0.000	1	123.0730	0.000	1	123.7250	0.319	3	123.7517	0.513	6	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]HH)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]HH){5|C<3>}	122.6960	0.000	1	122.6960	0.000	1	122.6960	0.000	1	123.7517	0.513	6	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:4:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[6]C[6]CH)(N[5a]N[5a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]N[5a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<2>,3|H<1>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[6]C[6]CH)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	126.5690	0.000	1	126.5690	0.000	1	126.5690	0.000	1	126.5690	0.000	1	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:2:	3:3:3:	3:4:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6]-4:N[5a,6]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]N[5a])	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	122.4900	0.000	1	122.4900	0.000	1	122.4900	0.000	1	122.4900	0.000	1	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]C[6]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]C[6]C){1|C<4>,1|N<2>,3|C<3>}	121.9620	0.000	1	121.9620	0.000	1	121.9620	0.000	1	121.7180	0.499	3	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	N[5a,6]-3:C[6]-3:N[5a]-3:	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	122.2700	0.000	1	122.2700	0.000	1	121.5960	0.909	2	121.7180	0.499	3	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	N[5a,6]-3:C[6]-3:N[5a]-3:	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]I)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]I){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|I<1>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|I<1>,1|N<2>,2|H<1>,3|C<3>}	120.9220	0.000	1	120.9220	0.000	1	121.5960	0.909	2	121.7180	0.499	3	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]C)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N){1|C<4>,3|C<3>}	122.2380	0.000	1	122.2380	0.000	1	122.2380	0.000	1	121.4925	1.112	2	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[5a,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6a,6a]-3:C[6,6a]-3:	N[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6](C[6,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]C[6]H)	N[5a,6](C[6,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6]){1|N<2>,2|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6]){1|N<2>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	120.7470	0.000	1	120.7470	0.000	1	120.7470	0.000	1	121.4925	1.112	2	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]Pd)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[6,6a]C[5a])(N[5a]N[5a])	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]Pd){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]H){1|Pd<7>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[6,6a]C[5a])(N[5a]N[5a]){1|Pd<7>,1|H<1>,5|C<3>}	122.2020	0.000	1	122.2020	0.000	1	122.2020	0.000	1	122.1857	9.063	3	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:S[6]-2:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]S[6])(C[5a]N[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(S[6]C[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]S[6])(C[5a]N[5a]H){1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(S[6]C[6]){1|H<1>,3|C<3>}	125.1880	0.000	1	125.1880	0.000	1	125.1880	0.000	1	122.1857	9.063	3	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-3:N[6]-2:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]N)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a]C)(N[6]C[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,3|N<2>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a]C)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>}	119.1670	0.000	1	119.1670	0.000	1	119.1670	0.000	1	122.1857	9.063	3	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]O){1|H<1>,4|C<3>}	120.4525	0.043	2	120.4525	0.002	2	120.4525	0.002	2	121.1284	1.715	18	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(N[6]C[6]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6]){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(N[6]C[6]C){1|O<1>,4|C<3>}	120.9750	0.000	1	120.9750	0.000	1	120.9750	0.000	1	121.1284	1.715	18	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6]C[5a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5a,6]C[5a,6]2)(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a,6]H)(C[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6]C[5a]C[6]){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5a,6]C[5a,6]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a,6]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.9780	0.000	1	120.9780	0.000	1	120.9780	0.000	1	121.1284	1.715	18	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5,5a]-3:C[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,5a]C[6])(C[5a]C[5,5a]C)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,5a]C[6])(C[5a]C[5,5a]C){2|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6]C[6]H){1|H<1>,1|O<1>,5|C<3>}	121.1900	0.000	1	121.1900	0.000	1	121.1900	0.000	1	121.1284	1.715	18	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]Si)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|Si<4>,3|C<3>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]Si){2|H<1>,3|C<3>}	122.0110	0.000	1	122.0110	0.000	1	120.4656	0.939	8	121.1284	1.715	18	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]N)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]N){2|C<3>,3|H<1>}	121.4580	0.000	1	121.4580	0.000	1	120.4656	0.939	8	121.1284	1.715	18	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]S)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]S){1|N<2>,2|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]H){1|H<1>,1|S<2>,2|C<3>}	119.4565	0.107	2	119.4565	0.011	2	120.4656	0.939	8	121.1284	1.715	18	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	119.7490	0.000	1	120.3358	0.362	4	120.4656	0.939	8	121.1284	1.715	18	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	120.7160	0.649	2	120.3358	0.362	4	120.4656	0.939	8	121.1284	1.715	18	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd){1|O<3>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	120.1620	0.000	1	120.3358	0.362	4	120.4656	0.939	8	121.1284	1.715	18	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:N[5a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	121.2700	0.000	1	121.2700	0.000	1	121.2700	0.000	1	121.1284	1.715	18	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:C[5a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5,6]C[5,6]C[5])(C[5a]C[5a]N[5a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5,6]C[5a])(C[5a]N[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5,6]C[5,6]C[5])(C[5a]C[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	124.0685	0.022	2	124.0685	0.000	2	124.0685	0.000	2	121.1284	1.715	18	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a,6]-3:C[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]C[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H){1|H<1>,6|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]C[6]){2|H<1>,7|C<3>}	121.1090	0.000	1	121.1090	0.000	1	121.1090	0.000	1	121.1284	1.715	18	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:N[5a]-3:C[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C)(C[6]C[6]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C)(C[6]C[6]C){2|H<1>,3|C<3>}	122.0220	0.000	1	122.0220	0.000	1	122.0220	0.000	1	121.1284	1.715	18	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a]){2|H<1>,2|N<3>,6|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H){2|C<4>,7|C<3>}	120.6170	0.000	1	120.6170	0.000	1	120.6170	0.000	1	122.1312	1.351	10	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[5,6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H){3|H<1>,8|C<3>}	122.1950	0.000	1	122.1950	0.000	1	122.1950	0.000	1	122.1312	1.351	10	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]CC)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]CC){1|H<1>,4|C<3>}	121.5800	0.065	2	121.5800	0.004	2	121.5800	0.004	2	122.1312	1.351	10	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:Si[6]-4:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]Si[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(Si[6]C[6]CC)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]Si[6]){2|H<1>,3|C<4>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,4|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(Si[6]C[6]CC){2|H<1>,6|C<3>}	122.9580	0.000	1	122.9580	0.000	1	122.9580	0.000	1	122.1312	1.351	10	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<3>}	120.2780	0.000	1	120.2780	0.000	1	122.4764	1.993	5	122.1312	1.351	10	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]S[6]HH)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|S<2>,3|H<1>,6|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]S[6]HH){4|C<3>}	123.1020	0.000	1	123.1020	0.000	1	122.4764	1.993	5	122.1312	1.351	10	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC){3|H<1>,4|C<3>}	123.1540	0.000	1	123.1540	0.000	1	122.4764	1.993	5	122.1312	1.351	10	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]CH)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	121.9520	0.000	1	121.9520	0.000	1	122.4764	1.993	5	122.1312	1.351	10	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]N[6]CC)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]N[6]CC){2|C<3>,2|H<1>}	123.8960	0.000	1	123.8960	0.000	1	122.4764	1.993	5	122.1312	1.351	10	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[3,6]-4:N[5a]-2:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]N[5a])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]N[5a])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]){3|H<1>,4|C<3>}	122.2860	0.000	1	122.2860	0.000	1	122.2860	0.000	1	123.7028	2.152	6	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O){1|O<2>,2|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|N<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a]){1|H<1>,1|O<1>,2|C<3>}	122.9650	0.000	1	122.5125	0.410	2	123.9862	2.088	5	123.7028	2.152	6	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|N<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a]){1|O<1>,3|C<3>}	122.0600	0.000	1	122.5125	0.410	2	123.9862	2.088	5	123.7028	2.152	6	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]S[6]HH)(N[5a]N[5a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]S[6]HH)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	124.4780	0.000	1	124.9687	0.352	3	123.9862	2.088	5	123.7028	2.152	6	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]S[6]HH)(N[5a]N[5a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O){1|S<2>,2|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]S[6]HH)(N[5a]N[5a]){1|H<1>,1|O<1>,2|C<3>}	125.2140	0.585	2	124.9687	0.352	3	123.9862	2.088	5	123.7028	2.152	6	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[3,6]-4:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[3,6]C[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[3,6]N[3,6]C[6a]C[3])(C[5a]C[5a,6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[3,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[3,6]N[3,6]C[6a]C[3])(C[5a]C[5a,6a]H){2|H<1>,6|C<3>}	120.8650	0.000	1	120.8650	0.000	1	120.8650	0.000	1	122.4011	1.344	15	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	121.4675	0.243	2	121.4675	0.059	2	121.4675	0.059	2	122.4011	1.344	15	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a]H){2|C<3>,2|C<4>,4|H<1>}	122.5740	0.000	1	122.5740	0.000	1	123.5327	2.997	3	122.4011	1.344	15	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H){1|C<4>,3|C<3>,4|H<1>}	122.4930	0.000	1	122.4930	0.000	1	123.5327	2.997	3	122.4011	1.344	15	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]N[5]H)(C[5a]C[5a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){2|C<3>,2|N<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]N[5]H)(C[5a]C[5a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	125.5310	0.000	1	125.5310	0.000	1	123.5327	2.997	3	122.4011	1.344	15	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5a]N[6]H)(C[5a]C[5a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5a]N[6]H)(C[5a]C[5a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	122.2780	0.000	1	122.2780	0.000	1	122.4020	0.603	9	122.4011	1.344	15	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)(C[5a]C[5a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)(C[5a]C[5a]H){3|H<1>,4|C<3>}	122.1620	0.000	1	122.1620	0.000	1	122.4020	0.603	9	122.4011	1.344	15	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H){3|H<1>,4|C<3>}	123.2895	0.161	2	122.7480	0.220	6	122.4020	0.603	9	122.4011	1.344	15	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H){3|H<1>,4|C<3>}	122.4772	0.256	4	122.7480	0.220	6	122.4020	0.603	9	122.4011	1.344	15	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6a]N[6])(C[6a]N[6a]Cl)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5]N[6]H)(C[5a]C[5a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|N<3>,2|N<2>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5]N[6]H)(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.6900	0.000	1	120.6900	0.000	1	122.4020	0.603	9	122.4011	1.344	15	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	4:3:2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,5]C[5,6]H)(N[5a,6]C[6,6a]C[5a])(N[5a]C[5a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5,6]C[5,5]C[5,6]H)(N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	121.9325	0.218	2	121.9325	0.048	2	121.9325	0.048	2	121.9325	0.048	2	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]C[5]N[6])(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5,6]C[5,6a]C[5]N[6])(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	123.0080	0.000	1	123.0080	0.000	1	123.0080	0.000	1	122.7255	0.160	2	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	122.4430	0.000	1	122.4430	0.000	1	122.4430	0.000	1	122.7255	0.160	2	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:B[5a]-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF)	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[6]H){1|H<1>,2|F<1>,4|C<3>}	121.2480	0.000	1	121.2480	0.000	1	121.2230	0.001	2	121.2230	0.001	2	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:B[5a]-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF)	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[5a]N[6])	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[5a]N[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	121.1980	0.000	1	121.1980	0.000	1	121.2230	0.001	2	121.2230	0.001	2	122.4430	3.108	78	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	N[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a,6a](C[5a,6a]C[5a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	C[6a,6a](N[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a,6a](C[5a,6a]C[5a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	125.8530	0.000	1	125.8530	0.000	1	125.8530	0.000	1	125.8530	0.000	1	126.3055	0.410	2	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	N[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a,6a]-3:C[5a]-3:N[6a]-3:	N[5a,6a,6a](C[5a,6a]C[5a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	C[6a,6a](N[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]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[5a,6a,6a](C[5a,6a]C[5a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	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>}	126.7580	0.000	1	126.7580	0.000	1	126.7580	0.000	1	126.7580	0.000	1	126.3055	0.410	2	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6,6a]-3:C[6,6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,3|C<3>}	121.5215	0.194	4	121.5827	0.034	7	121.5827	0.034	7	121.5827	0.034	7	122.3585	3.020	15	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6,6a]-3:C[6,6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	121.6643	0.169	3	121.5827	0.034	7	121.5827	0.034	7	121.5827	0.034	7	122.3585	3.020	15	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,2|C<3>,4|C<4>}	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	122.3020	0.187	2	122.3100	0.066	5	122.3100	0.066	5	122.3100	0.066	5	122.3585	3.020	15	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,3|C<3>}	121.9260	0.000	1	122.3100	0.066	5	122.3100	0.066	5	122.3100	0.066	5	122.3585	3.020	15	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	122.4930	0.000	1	122.3100	0.066	5	122.3100	0.066	5	122.3100	0.066	5	122.3585	3.020	15	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	122.5270	0.000	1	122.3100	0.066	5	122.3100	0.066	5	122.3100	0.066	5	122.3585	3.020	15	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6,6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](N[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	128.4760	0.000	1	128.4760	0.000	1	128.4760	0.000	1	128.4760	0.000	1	122.3585	3.020	15	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6,6a]-3:C[6]-2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C[3])	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]N[6])(C[6]C[6])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[6,6a]C[5a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C[3]){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|N<2>}	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]N[6])(C[6]C[6]){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[6,6a]C[5a])(N[5a]N[5a]){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	121.9490	0.000	1	121.9490	0.000	1	121.9490	0.000	1	122.1365	0.070	2	122.3585	3.020	15	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6,6a]-3:N[6]-2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]N[5a]C[3])	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]C[6])(N[6]C[6])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[6,6a]C[5a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]N[5a]C[3]){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]C[6])(N[6]C[6]){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[6,6a]C[5a])(N[5a]N[5a]){1|C<4>,2|C<3>,2|N<2>}	122.3240	0.000	1	122.3240	0.000	1	122.3240	0.000	1	122.1365	0.070	2	122.3585	3.020	15	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6,6a]-3:N[5a,6a]-3:C[5a,6]-3:	N[5a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5a,6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a]C[6])	N[5a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a]C[6]){1|N<3>,2|C<4>,6|C<3>}	117.9850	0.000	1	117.9850	0.000	1	117.9850	0.000	1	117.9850	0.000	1	117.9850	0.000	1	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6,6a,6a]-3:C[6a]-3:	C[6,6a,6a]-3:N[5a,6a]-3:C[5a,6a]-3:	N[5a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a,6a]B[6,6,6a]C[6,6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	N[5a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a]){1|B<3>,2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a,6a]B[6,6,6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	121.7260	0.000	1	121.7260	0.000	1	121.7260	0.000	1	121.3780	0.242	2	121.3780	0.242	2	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H)	C[5a,6a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]S[6a])	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,7|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]S[6a]){2|H<1>,5|C<3>}	121.0300	0.000	1	121.0300	0.000	1	121.0300	0.000	1	121.3780	0.242	2	121.3780	0.242	2	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:2:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|H<1>,2|C<3>}	121.2510	0.000	1	121.2510	0.000	1	121.2510	0.000	1	122.0706	0.891	5	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:2:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|H<1>,1|S<4>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Cl<1>,1|S<4>,2|C<3>}	123.6770	0.000	1	123.6770	0.000	1	122.2755	0.908	4	122.0706	0.891	5	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:2:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|C<4>,2|C<3>}	121.7570	0.300	2	121.8083	0.053	3	122.2755	0.908	4	122.0706	0.891	5	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:2:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|H<1>,2|C<3>}	121.9110	0.000	1	121.8083	0.053	3	122.2755	0.908	4	122.0706	0.891	5	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>}	126.1170	0.000	1	126.1170	0.000	1	126.1170	0.000	1	124.5254	1.573	16	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	122.3030	0.000	1	121.9145	0.302	2	121.9145	0.302	2	124.5254	1.573	16	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,2|C<3>}	121.5260	0.000	1	121.9145	0.302	2	121.9145	0.302	2	124.5254	1.573	16	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	125.7480	0.000	1	125.7480	0.000	1	125.0986	0.242	10	124.5254	1.573	16	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){5|C<3>}	125.7540	0.000	1	125.7540	0.000	1	125.0986	0.242	10	124.5254	1.573	16	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	125.2490	0.117	2	125.1396	0.104	5	125.0986	0.242	10	124.5254	1.573	16	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	124.8235	0.087	2	125.1396	0.104	5	125.0986	0.242	10	124.5254	1.573	16	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	125.5530	0.000	1	125.1396	0.104	5	125.0986	0.242	10	124.5254	1.573	16	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>}	124.2920	0.000	1	124.5953	0.072	3	125.0986	0.242	10	124.5254	1.573	16	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){3|C<3>}	124.7470	0.071	2	124.5953	0.072	3	125.0986	0.242	10	124.5254	1.573	16	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|O<2>,2|C<3>}	123.8860	0.000	1	123.8250	0.096	3	123.8250	0.096	3	124.5254	1.573	16	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|S<2>,2|C<3>}	123.4900	0.000	1	123.8250	0.096	3	123.8250	0.096	3	124.5254	1.573	16	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|S<4>,2|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|S<4>,2|C<3>}	124.0990	0.000	1	123.8250	0.096	3	123.8250	0.096	3	124.5254	1.573	16	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C){1|N<2>,4|C<3>}	125.5140	0.000	1	125.5140	0.000	1	125.5140	0.000	1	124.1495	1.198	14	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	123.3370	0.000	1	123.3370	0.000	1	123.3370	0.000	1	124.1495	1.198	14	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]){1|C<4>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a]){1|C<4>,1|H<1>,2|N<2>,4|C<3>}	124.2840	0.000	1	124.2840	0.000	1	124.2840	0.000	1	124.1495	1.198	14	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	124.2270	0.000	1	124.2270	0.000	1	124.0871	1.299	11	124.1495	1.198	14	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	125.3760	0.066	2	125.3760	0.004	2	124.0871	1.299	11	124.1495	1.198	14	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	124.1229	0.372	7	124.1229	0.138	7	124.0871	1.299	11	124.1495	1.198	14	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]O[5a]O)(C[6a]N[6a]N)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]O[5a]O)(C[6a]N[6a]N){2|C<3>}	121.1190	0.000	1	121.1190	0.000	1	124.0871	1.299	11	124.1495	1.198	14	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[6a]-2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a]){1|C<2>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	123.1910	0.000	1	123.1910	0.000	1	123.1910	0.000	1	123.1910	0.000	1	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.4990	0.352	4	121.4990	0.124	4	121.9082	1.312	13	121.9082	1.312	13	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	123.2840	0.000	1	123.2840	0.000	1	121.9082	1.312	13	121.9082	1.312	13	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	123.4760	0.000	1	123.1623	0.260	4	121.9082	1.312	13	121.9082	1.312	13	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	123.0577	0.569	3	123.1623	0.260	4	121.9082	1.312	13	121.9082	1.312	13	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[3])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Cl)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[3]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>}	120.7193	0.168	4	120.7193	0.028	4	121.9082	1.312	13	121.9082	1.312	13	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	122.4825	0.368	2	122.4825	0.136	2	122.4825	0.136	2	122.6623	0.165	3	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	123.0220	0.000	1	123.0220	0.000	1	123.0220	0.000	1	122.6623	0.165	3	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a]){2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(N[6a]C[6a]){1|H<1>,4|C<3>}	121.2820	0.000	1	121.2820	0.000	1	121.2820	0.000	1	121.2820	0.000	1	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.4050	0.000	1	120.4050	0.000	1	121.1745	1.184	2	120.8078	0.491	5	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.9440	0.000	1	121.9440	0.000	1	121.1745	1.184	2	120.8078	0.491	5	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.5633	0.408	3	120.5633	0.166	3	120.5633	0.166	3	120.8078	0.491	5	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,5|C<3>}	123.1710	0.000	1	123.1710	0.000	1	123.1710	0.000	1	120.8555	3.455	13	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a]){2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(N[6a]C[6a]){1|H<1>,6|C<3>}	120.3500	0.000	1	120.3500	0.000	1	120.3500	0.000	1	120.8555	3.455	13	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	119.9580	0.486	2	119.9580	0.237	2	119.9580	0.237	2	120.8555	3.455	13	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]){1|H<1>,5|C<3>}	122.4850	0.000	1	122.4850	0.000	1	122.4850	0.000	1	120.8555	3.455	13	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[5a]2)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(N[6a]N[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[5a]2){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(N[6a]N[6a]){1|H<1>,3|C<3>}	117.3880	0.293	2	117.3880	0.086	2	117.3880	0.086	2	120.8555	3.455	13	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<3>,5|C<3>}	121.1520	0.000	1	121.1520	0.000	1	121.7372	0.510	6	120.8555	3.455	13	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	122.0930	0.211	3	122.0930	0.045	3	121.7372	0.510	6	120.8555	3.455	13	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<4>,3|C<3>}	122.3960	0.000	1	122.3960	0.000	1	121.7372	0.510	6	120.8555	3.455	13	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]N[5a]){1|C<4>,2|C<3>}	120.5960	0.000	1	120.5960	0.000	1	121.7372	0.510	6	120.8555	3.455	13	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,5a]H)	N[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,5a]H){1|H<1>,1|N<3>,5|C<3>}	121.6390	0.000	1	121.6390	0.000	1	121.6390	0.000	1	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	121.6252	0.160	4	121.6252	0.026	4	121.6252	0.026	4	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]C){4|C<3>}	119.9390	0.000	1	119.9390	0.000	1	120.1630	0.100	2	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O){1|C<4>,4|C<3>}	120.3870	0.000	1	120.3870	0.000	1	120.1630	0.100	2	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|I<1>,6|C<3>}	121.4950	0.557	2	121.4547	0.160	3	121.7091	1.675	11	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|S<4>,6|C<3>}	121.3740	0.000	1	121.4547	0.160	3	121.7091	1.675	11	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	122.5695	0.231	4	122.5695	0.054	4	121.7091	1.675	11	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	119.9750	0.000	1	119.9750	0.000	1	121.7091	1.675	11	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){3|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){7|C<3>}	121.1250	0.000	1	121.1250	0.000	1	121.7091	1.675	11	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.3270	0.000	1	119.3270	0.000	1	121.7091	1.675	11	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|N<2>,4|C<3>}	123.7310	0.000	1	123.7310	0.000	1	121.7091	1.675	11	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	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>}	121.1760	0.000	1	121.1760	0.000	1	121.1760	0.000	1	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	120.8030	0.000	1	120.8030	0.000	1	120.8030	0.000	1	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a,6])(C[6a]C[6a]N[6a])(C[5a]C[5a,6]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a,6])(C[6a]C[6a]N[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,4|C<3>}	120.2340	0.000	1	120.2230	0.000	2	120.2230	0.000	2	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a,6])(C[6a]C[6a]N[6a])(C[5a]C[5a,6]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a,6])(C[6a]C[6a]N[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,4|C<3>}	120.2120	0.000	1	120.2230	0.000	2	120.2230	0.000	2	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|Br<1>,3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6480	0.000	1	120.6480	0.000	1	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	120.3240	0.000	1	120.9425	0.765	2	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.5610	0.000	1	120.9425	0.765	2	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	120.4070	0.000	1	120.4070	0.000	1	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|C<3>,4|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6685	2.022	2	120.7587	2.068	3	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.9390	0.000	1	120.7587	2.068	3	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.9160	0.716	2	119.9160	0.512	2	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.3130	0.000	1	122.3130	0.000	1	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.3750	0.000	1	120.3750	0.000	1	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,4|C<3>}	121.6815	0.388	2	121.6815	0.151	2	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	120.0395	0.558	2	120.0395	0.311	2	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	122.1810	0.000	1	122.1810	0.000	1	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|I<1>,2|H<1>,4|C<3>}	122.6470	0.000	1	122.7135	0.018	4	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	122.7357	0.153	3	122.7135	0.018	4	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]N)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	122.7990	0.000	1	122.7990	0.000	1	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	121.4220	0.000	1	121.4220	0.000	1	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){2|C<3>,2|H<1>}	119.6790	0.000	1	119.6790	0.000	1	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>,2|H<1>}	120.8150	0.000	1	120.7235	0.017	2	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>,2|H<1>}	120.6320	0.000	1	120.7235	0.017	2	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	122.0250	0.000	1	121.9195	0.022	2	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	121.8140	0.000	1	121.9195	0.022	2	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]I)(C[6a]N[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|I<1>,1|N<2>,2|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]I)(C[6a]N[6a]H){2|C<3>,2|H<1>}	120.1950	0.000	1	120.1950	0.000	1	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|H<1>,3|C<3>}	121.0055	0.531	2	121.0055	0.282	2	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]S)(C[6a]N[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]S)(C[6a]N[6a]H){1|O<2>,1|S<2>,2|C<3>}	119.7530	0.000	1	119.7530	0.000	1	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S){1|N<2>,2|C<3>,4|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,1|S<2>,2|C<3>}	119.1050	0.402	2	119.1050	0.161	2	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){1|H<1>,3|C<3>}	121.5950	0.000	1	121.5950	0.000	1	121.0342	1.338	34	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]H)(N[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a]){2|H<1>,6|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]H)(N[6a]C[6a]2){1|O<1>,5|C<3>}	120.5190	0.000	1	120.5190	0.000	1	120.5190	0.000	1	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	119.7630	0.000	1	119.7630	0.000	1	120.8062	0.976	11	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	119.6270	0.000	1	119.6270	0.000	1	120.8062	0.976	11	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|Si<4>,3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H){2|H<1>,3|C<3>}	122.6610	0.000	1	122.6610	0.000	1	120.8062	0.976	11	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	121.3288	0.381	5	121.3288	0.145	5	120.8062	0.976	11	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[5])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	120.0710	0.000	1	120.0710	0.000	1	120.8062	0.976	11	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[6])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	119.7250	0.000	1	119.7250	0.000	1	120.8062	0.976	11	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[6])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[6]){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	120.3770	0.000	1	120.3770	0.000	1	120.8062	0.976	11	121.0918	1.211	68	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a]FF)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a]FF){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,2|F<1>,4|C<3>}	122.6010	0.000	1	122.6010	0.000	1	122.6010	0.000	1	121.7679	0.358	7	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2)	C[6a,6a](N[5a,6a]C[5a,6a]B[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2){2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]B[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[6a]C[6a]H){2|Cl<1>,2|H<1>,4|C<3>}	121.5062	0.570	4	121.5062	0.324	4	121.5062	0.324	4	121.7679	0.358	7	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:B[5a]-4:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)	C[6a,6a](N[5a,6a]C[5a,6a]B[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]B[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|F<1>}	121.8745	0.431	2	121.8745	0.185	2	121.8745	0.185	2	121.7679	0.358	7	121.9171	3.002	146	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:O-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6a]-3:	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a])	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]C){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.4130	0.000	1	121.4130	0.000	1	121.8370	0.360	2	121.8370	0.360	2	120.1112	4.119	4	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:O-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6a]-3:	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a])	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){2|H<1>,5|C<3>}	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a]){1|O<1>,3|C<3>,4|H<1>}	122.2610	0.000	1	122.2610	0.000	1	121.8370	0.360	2	121.8370	0.360	2	120.1112	4.119	4	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]N[6a])	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]N[6a]){1|H<1>,1|O<1>,5|C<3>}	118.3855	0.292	2	118.3855	0.085	2	118.3855	0.085	2	118.3855	0.085	2	120.1112	4.119	4	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){2|H<1>,6|C<3>}	124.5000	0.000	1	124.5000	0.000	1	124.5000	0.000	1	123.5816	3.001	5	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	122.3970	0.050	3	122.3970	0.002	3	122.3970	0.002	3	123.5816	3.001	5	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	126.2170	0.000	1	126.2170	0.000	1	126.2170	0.000	1	123.5816	3.001	5	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,4|C<3>}	120.1190	0.000	1	120.7717	1.910	3	120.7717	1.910	3	120.7717	1.910	3	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|I<1>,1|S<2>,4|C<3>}	119.8370	0.000	1	120.7717	1.910	3	120.7717	1.910	3	120.7717	1.910	3	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	122.3590	0.000	1	120.7717	1.910	3	120.7717	1.910	3	120.7717	1.910	3	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){7|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a]){2|H<1>,6|C<3>}	123.7730	0.000	1	123.7730	0.000	1	123.7730	0.000	1	123.7730	0.000	1	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.3210	0.000	1	120.3210	0.000	1	120.3210	0.000	1	121.3220	2.004	2	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:O-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){2|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(O){1|C<3>,1|O<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|N<2>,1|N<3>,2|O<1>}	122.3230	0.000	1	122.3230	0.000	1	122.3230	0.000	1	121.3220	2.004	2	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	124.4130	0.000	1	124.4130	0.000	1	124.8774	0.237	5	124.6115	0.614	6	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|N<2>}	125.4550	0.000	1	125.4550	0.000	1	124.8774	0.237	5	124.6115	0.614	6	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.8397	0.445	3	124.8397	0.198	3	124.8774	0.237	5	124.6115	0.614	6	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	123.2820	0.000	1	123.2820	0.000	1	123.2820	0.000	1	124.6115	0.614	6	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:O-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	121.8395	0.036	2	121.8395	0.001	2	121.8395	0.001	2	122.5037	1.324	3	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:S-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]S)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]S)(N[5a]N[5a]){1|C<3>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,1|S<2>}	123.8320	0.000	1	123.8320	0.000	1	123.8320	0.000	1	122.5037	1.324	3	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<2>,2|N<3>}	119.8490	0.000	1	119.8490	0.000	1	120.6070	0.494	3	120.6070	0.494	3	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<2>,2|N<3>}	121.2380	0.000	1	121.2380	0.000	1	120.6070	0.494	3	120.6070	0.494	3	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,3|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<3>,3|N<2>}	120.7340	0.000	1	120.7340	0.000	1	120.6070	0.494	3	120.6070	0.494	3	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	123.5990	0.000	1	123.5990	0.000	1	123.5990	0.000	1	123.8520	1.351	6	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NCH){2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	124.3210	0.007	2	124.3210	0.000	2	124.6873	0.403	3	123.8520	1.351	6	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NHH){2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	125.4200	0.000	1	125.4200	0.000	1	124.6873	0.403	3	123.8520	1.351	6	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]N[5a]){1|C<3>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>}	123.5180	0.000	1	123.5180	0.000	1	123.5180	0.000	1	123.8520	1.351	6	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	121.9330	0.000	1	121.9330	0.000	1	121.9330	0.000	1	123.8520	1.351	6	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<2>,3|C<3>}	123.0320	0.000	1	123.0320	0.000	1	123.0320	0.000	1	123.0785	0.004	2	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCH){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	123.1250	0.000	1	123.1250	0.000	1	123.1250	0.000	1	123.0785	0.004	2	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:2:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(N[5a]N[5a]){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	125.8765	0.135	2	125.8765	0.018	2	125.8765	0.018	2	125.8765	0.018	2	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:N[6a]-2:S[5a]-2:	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])(S[5a]C[5a])	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a]){1|S<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])(S[5a]C[5a]){1|O<1>,1|S<2>,2|C<3>}	122.0940	0.000	1	122.0940	0.000	1	122.0940	0.000	1	123.7693	5.891	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	122.1850	0.000	1	122.1846	0.029	5	122.2228	0.032	6	123.7693	5.891	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Br<1>,1|C<3>,2|H<1>}	121.9740	0.000	1	122.1846	0.029	5	122.2228	0.032	6	123.7693	5.891	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	122.0640	0.000	1	122.1846	0.029	5	122.2228	0.032	6	123.7693	5.891	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	122.3130	0.000	1	122.1846	0.029	5	122.2228	0.032	6	123.7693	5.891	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	122.3870	0.000	1	122.1846	0.029	5	122.2228	0.032	6	123.7693	5.891	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,2|H<1>}	122.4140	0.000	1	122.4140	0.000	1	122.2228	0.032	6	123.7693	5.891	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	124.9770	0.000	1	124.9770	0.000	1	124.9770	0.000	1	123.7693	5.891	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>}	128.4740	0.000	1	128.0157	0.306	3	128.0157	0.306	3	123.7693	5.891	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>}	127.4010	0.000	1	128.0157	0.306	3	128.0157	0.306	3	123.7693	5.891	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a]){1|O<1>,3|C<3>}	128.1720	0.000	1	128.0157	0.306	3	128.0157	0.306	3	123.7693	5.891	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[6a]-2:S[5a]-2:	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a])	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.7100	0.000	1	122.7717	0.057	3	122.7717	0.057	3	123.7693	5.891	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[6a]-2:S[5a]-2:	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a])	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	122.8025	0.329	2	122.7717	0.057	3	122.7717	0.057	3	123.7693	5.891	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5,6a]-3:H-1:	N[5a,6a]-3:N[6a]-2:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[5,6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|S<2>,1|S<4>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[5,6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	122.9700	0.000	1	122.9700	0.000	1	122.9700	0.000	1	122.9700	0.000	1	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]N[5a])(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]N[5a])(O){1|C<3>,2|N<2>,2|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[5a,6a]){1|O<1>,2|N<3>,3|C<3>}	124.8870	0.000	1	124.8870	0.000	1	124.8870	0.000	1	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]O)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]O)(N[5a]N[5a]){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|O<1>,4|C<3>}	123.8980	0.000	1	123.8980	0.000	1	123.8980	0.000	1	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:Cl-1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	120.5010	0.000	1	120.5010	0.000	1	120.1795	0.207	2	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:Cl-1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>}	119.8580	0.000	1	119.8580	0.000	1	120.1795	0.207	2	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|N<2>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	121.7890	0.000	1	121.7890	0.000	1	122.3435	0.181	4	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	122.7420	0.000	1	122.5283	0.067	3	122.3435	0.181	4	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	122.4215	0.255	2	122.5283	0.067	3	122.3435	0.181	4	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	124.0385	0.012	2	124.0385	0.000	2	123.9574	0.520	16	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	123.8170	0.000	1	123.8170	0.000	1	123.9574	0.520	16	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	123.6740	0.700	2	123.6215	0.255	8	123.9574	0.520	16	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	123.6040	0.508	6	123.6215	0.255	8	123.9574	0.520	16	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]I)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	123.8290	0.000	1	123.8290	0.000	1	123.9574	0.520	16	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){1|C<3>,2|H<1>}	125.3590	0.651	2	125.3590	0.423	2	123.9574	0.520	16	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,2|H<1>}	124.5510	0.000	1	124.5510	0.000	1	123.9574	0.520	16	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	123.3550	0.000	1	123.3550	0.000	1	123.9574	0.520	16	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:O[6a]-2:	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|O<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>}	124.3000	0.177	2	124.1993	0.046	3	124.1993	0.046	3	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:O[6a]-2:	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|O<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a]){1|O<1>,3|C<3>}	123.9980	0.000	1	124.1993	0.046	3	124.1993	0.046	3	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>}	124.6653	0.316	3	125.0417	0.428	6	125.0417	0.428	6	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	125.8440	0.013	2	125.0417	0.428	6	125.0417	0.428	6	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	124.5660	0.000	1	125.0417	0.428	6	125.0417	0.428	6	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C[5])(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,3|C<4>}	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>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	127.1130	0.000	1	127.1130	0.000	1	126.8925	0.097	2	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|H<1>}	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[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<3>,1|O<1>}	126.6720	0.000	1	126.6720	0.000	1	126.8925	0.097	2	123.9563	2.211	35	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]C[5a]H){1|O<1>,3|C<3>}	124.5530	0.000	1	124.5530	0.000	1	124.5530	0.000	1	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.6790	0.000	1	122.9975	0.929	2	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	122.3160	0.000	1	122.9975	0.929	2	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	123.1430	0.000	1	123.1430	0.000	1	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.5030	0.000	1	123.2627	0.321	4	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.3300	0.000	1	123.2627	0.321	4	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.3440	0.000	1	123.2627	0.321	4	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.8740	0.000	1	123.2627	0.321	4	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	123.9730	0.000	1	123.9730	0.000	1	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	123.4985	0.347	2	123.6302	0.085	4	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	123.7620	0.255	2	123.6302	0.085	4	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]F)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|F<1>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]F)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.4070	0.000	1	122.4070	0.000	1	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.2820	0.000	2	122.2820	0.000	2	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>,2|S<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	122.3530	0.000	1	122.3530	0.000	1	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	123.3917	0.250	3	123.3917	0.063	3	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	123.4230	0.000	1	123.4230	0.000	1	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	123.6375	0.183	2	123.6375	0.034	2	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	122.0310	0.000	1	122.0310	0.000	1	123.1700	0.394	23	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:I-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a]){1|C<2>,1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	122.9360	0.000	1	122.9360	0.000	1	122.9270	0.000	2	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:I-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a]){1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	122.9180	0.000	1	122.9180	0.000	1	122.9270	0.000	2	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(O){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>}	124.5390	0.000	1	124.5390	0.000	1	124.5390	0.000	1	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	126.2250	0.000	1	127.0350	1.312	2	126.8770	0.589	4	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|C<4>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	127.8450	0.000	1	127.0350	1.312	2	126.8770	0.589	4	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,1|P<4>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,1|O<1>,1|P<4>,2|C<3>}	126.2980	0.000	1	126.7190	0.354	2	126.8770	0.589	4	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	127.1400	0.000	1	126.7190	0.354	2	126.8770	0.589	4	123.7215	1.996	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CC)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CC){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<2>,1|H<1>,2|C<3>}	122.4350	0.000	1	122.4350	0.000	1	121.6060	1.374	2	121.0981	1.462	7	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,3|C<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<2>}	120.7770	0.000	1	120.7770	0.000	1	121.6060	1.374	2	121.0981	1.462	7	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(N[6a]N[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|N<2>,3|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NH){1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(N[6a]N[6a]){1|C<3>,1|N<2>,1|N<3>}	123.1490	0.000	1	123.1490	0.000	1	123.1490	0.000	1	121.0981	1.462	7	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	120.2245	0.213	2	120.3315	0.109	4	120.3315	0.109	4	121.0981	1.462	7	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>}	120.4385	0.486	2	120.3315	0.109	4	120.3315	0.109	4	121.0981	1.462	7	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,3|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	122.2700	0.000	1	122.2700	0.000	1	122.2700	0.000	1	122.8593	0.662	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	122.3520	0.000	1	122.3520	0.000	1	122.3520	0.000	1	122.8593	0.662	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|S<2>,3|C<3>}	122.3330	0.000	1	122.3703	0.038	6	122.3703	0.038	6	122.8593	0.662	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	122.4755	0.224	2	122.3703	0.038	6	122.3703	0.038	6	122.8593	0.662	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	122.3630	0.000	1	122.3703	0.038	6	122.3703	0.038	6	122.8593	0.662	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	122.2875	0.317	2	122.3703	0.038	6	122.3703	0.038	6	122.8593	0.662	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|S<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	124.4415	0.158	2	124.4415	0.025	2	123.6654	0.616	5	122.8593	0.662	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|H<1>}	123.3230	0.499	2	123.3230	0.249	2	123.6654	0.616	5	122.8593	0.662	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(NHH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<2>,1|N<2>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(NHH){1|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|C<3>,2|N<3>}	122.7980	0.000	1	122.7980	0.000	1	123.6654	0.616	5	122.8593	0.662	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,3|C<3>}	121.4190	0.000	1	121.4190	0.000	1	121.6151	0.084	12	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|S<2>,2|C<3>}	121.6120	0.000	1	121.8392	0.069	4	121.6151	0.084	12	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|S<2>,2|C<3>}	121.9760	0.000	1	121.8392	0.069	4	121.6151	0.084	12	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	121.6270	0.000	1	121.8392	0.069	4	121.6151	0.084	12	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	122.1420	0.000	1	121.8392	0.069	4	121.6151	0.084	12	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	121.7657	0.146	3	121.7657	0.021	3	121.6151	0.084	12	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|I<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	121.2685	0.107	2	121.2685	0.011	2	121.6151	0.084	12	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	121.3855	0.064	2	121.3855	0.004	2	121.6151	0.084	12	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:O[6a]-2:	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a]){1|O<1>,3|C<3>}	122.8980	0.000	1	122.8980	0.000	1	122.8980	0.000	1	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	124.5457	0.929	4	124.2688	0.576	9	124.1924	0.570	10	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	124.2850	0.336	4	124.2688	0.576	9	124.1924	0.570	10	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	123.0960	0.000	1	124.2688	0.576	9	124.1924	0.570	10	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){3|C<3>}	123.5050	0.000	1	123.5050	0.000	1	124.1924	0.570	10	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	122.4495	0.205	4	122.5586	0.091	5	122.9690	0.374	9	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	122.9950	0.000	1	122.5586	0.091	5	122.9690	0.374	9	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(NHH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(NHH){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>}	123.0825	0.112	2	123.0825	0.013	2	122.9690	0.374	9	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NHH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(N[6a]N[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|N<2>,2|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NHH){1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(N[6a]N[6a]){1|N<3>,2|C<3>}	123.8815	0.281	2	123.8815	0.079	2	122.9690	0.374	9	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|O<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,1|N<3>,1|O<1>}	125.5640	0.000	1	125.5640	0.000	1	125.5640	0.000	1	122.9239	1.646	33	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	124.1760	0.272	3	124.1760	0.074	3	124.4096	0.243	17	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	124.1780	0.000	1	124.1780	0.000	1	124.4096	0.243	17	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	124.3390	0.000	1	124.6020	0.151	7	124.4096	0.243	17	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	124.3910	0.000	1	124.6020	0.151	7	124.4096	0.243	17	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	124.4530	0.325	3	124.6020	0.151	7	124.4096	0.243	17	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	125.0625	0.305	2	124.6020	0.151	7	124.4096	0.243	17	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	124.2940	0.126	2	124.2940	0.016	2	124.4096	0.243	17	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	123.3660	0.000	1	123.3660	0.000	1	124.4096	0.243	17	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	124.4280	0.000	1	124.4280	0.000	1	124.4096	0.243	17	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,5|C<3>}	125.4910	0.000	1	125.4910	0.000	1	124.4096	0.243	17	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|N<2>,3|C<3>}	124.1700	0.000	1	124.1700	0.000	1	124.4096	0.243	17	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	123.7590	0.000	1	123.7590	0.000	1	123.0833	0.426	6	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	123.0390	0.173	2	123.0390	0.030	2	123.0833	0.426	6	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|O<2>,2|H<1>,7|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	123.4460	0.000	1	123.4460	0.000	1	123.0833	0.426	6	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|H<1>,3|C<3>}	121.8820	0.000	1	121.8820	0.000	1	123.0833	0.426	6	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	123.3350	0.000	1	123.3350	0.000	1	123.0833	0.426	6	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>}	122.5290	0.000	1	122.5290	0.000	1	122.4726	0.081	5	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>}	122.9380	0.000	1	122.9380	0.000	1	122.4726	0.081	5	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>}	122.3060	0.000	1	122.2987	0.007	3	122.4726	0.081	5	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,4|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>}	122.2950	0.119	2	122.2987	0.007	3	122.4726	0.081	5	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<2>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH){1|N<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	125.5900	0.000	1	125.2930	0.176	2	125.2930	0.176	2	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH){1|N<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	124.9960	0.000	1	125.2930	0.176	2	125.2930	0.176	2	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH){4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>}	124.9300	0.430	4	124.9300	0.185	4	124.9300	0.185	4	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:P-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6]2)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6]2){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	124.3940	0.000	1	124.3940	0.000	1	124.6004	0.033	5	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:P-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	124.5450	0.000	1	124.5450	0.000	1	124.6004	0.033	5	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:P-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	124.6440	0.226	2	124.6440	0.051	2	124.6004	0.033	5	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:P-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	124.7750	0.000	1	124.7750	0.000	1	124.6004	0.033	5	124.0804	0.924	39	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	124.2760	0.000	1	123.6223	0.284	4	122.7786	0.254	27	122.7786	0.254	27	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|S<2>,2|C<4>}	123.4830	0.496	2	123.6223	0.284	4	122.7786	0.254	27	122.7786	0.254	27	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	123.2470	0.000	1	123.6223	0.284	4	122.7786	0.254	27	122.7786	0.254	27	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	122.7285	0.224	2	122.5427	0.081	4	122.7786	0.254	27	122.7786	0.254	27	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	122.1920	0.000	1	122.5427	0.081	4	122.7786	0.254	27	122.7786	0.254	27	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	122.5220	0.000	1	122.5427	0.081	4	122.7786	0.254	27	122.7786	0.254	27	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	122.5890	0.000	1	122.6506	0.118	19	122.7786	0.254	27	122.7786	0.254	27	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>}	122.4785	0.374	2	122.6506	0.118	19	122.7786	0.254	27	122.7786	0.254	27	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|S<2>,2|C<4>}	122.7910	0.000	1	122.6506	0.118	19	122.7786	0.254	27	122.7786	0.254	27	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	122.6683	0.369	15	122.6506	0.118	19	122.7786	0.254	27	122.7786	0.254	27	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6,6a]-3:C-4:	N[5a,6a]-3:N[6a]-2:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6,6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6,6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6,6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6,6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	122.8487	0.619	3	122.8487	0.383	3	122.8487	0.383	3	122.8487	0.383	3	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){2|C<3>,2|N<2>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	125.0690	0.000	1	125.0690	0.000	1	125.0690	0.000	1	121.5397	2.480	21	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	122.9010	0.000	1	122.9010	0.000	1	121.0872	1.330	18	121.5397	2.480	21	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	122.6040	1.512	2	122.6040	2.286	2	121.0872	1.330	18	121.5397	2.480	21	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	122.3750	0.000	1	122.3750	0.000	1	121.0872	1.330	18	121.5397	2.480	21	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]){1|C<3>,3|C<4>}	119.8810	0.000	1	120.1295	0.124	2	121.0872	1.330	18	121.5397	2.480	21	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	120.3780	0.000	1	120.1295	0.124	2	121.0872	1.330	18	121.5397	2.480	21	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,3|C<4>}	120.6655	0.173	2	120.9353	0.233	3	121.0872	1.330	18	121.5397	2.480	21	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	121.4750	0.000	1	120.9353	0.233	3	121.0872	1.330	18	121.5397	2.480	21	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){2|C<4>,4|C<3>}	120.0200	0.000	1	119.8955	0.031	2	121.0872	1.330	18	121.5397	2.480	21	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,5|C<3>}	119.7710	0.000	1	119.8955	0.031	2	121.0872	1.330	18	121.5397	2.480	21	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	120.2177	0.536	4	120.2177	0.288	4	121.0872	1.330	18	121.5397	2.480	21	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	121.7595	0.234	2	121.7595	0.055	2	121.0872	1.330	18	121.5397	2.480	21	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,3|C<3>}	121.8390	0.000	1	121.8390	0.000	1	121.0872	1.330	18	121.5397	2.480	21	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>}	123.5430	0.000	1	123.5430	0.000	1	123.8475	0.185	2	121.5397	2.480	21	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<3>,1|O<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>}	124.1520	0.000	1	124.1520	0.000	1	123.8475	0.185	2	121.5397	2.480	21	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)(CCHH){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){2|C<4>,3|C<3>}	125.3420	0.300	2	125.3420	0.090	2	125.3420	0.090	2	124.7699	0.888	9	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.7865	0.030	2	124.7865	0.001	2	124.8287	0.006	3	124.7699	0.888	9	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHHO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHHO){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	124.9130	0.000	1	124.9130	0.000	1	124.8287	0.006	3	124.7699	0.888	9	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|C<4>}	122.5170	0.000	1	122.5170	0.000	1	122.5170	0.000	1	124.7699	0.888	9	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H){4|C<3>,4|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	125.0740	0.000	1	125.0740	0.000	1	125.0807	0.486	3	124.7699	0.888	9	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H){4|C<3>,4|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	124.3870	0.000	1	124.3870	0.000	1	125.0807	0.486	3	124.7699	0.888	9	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]I)(C[3]C[3]2H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){1|H<1>,1|I<1>,3|C<3>,3|C<4>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]I)(C[3]C[3]2H){4|C<3>,4|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<4>,3|C<3>}	125.7810	0.000	1	125.7810	0.000	1	125.0807	0.486	3	124.7699	0.888	9	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.2540	0.758	2	118.2540	0.575	2	118.2540	0.575	2	118.2540	0.575	2	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:O-1:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(O){1|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	125.3990	0.000	1	125.3990	0.000	1	125.3990	0.000	1	122.0978	4.599	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	123.0785	0.226	2	123.0785	0.051	2	123.5737	0.293	6	122.0978	4.599	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	123.6460	0.010	2	123.6460	0.000	2	123.5737	0.293	6	122.0978	4.599	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	123.9965	0.746	2	123.9965	0.557	2	123.5737	0.293	6	122.0978	4.599	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]H){5|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	121.1485	0.125	2	121.1485	0.016	2	121.1485	0.016	2	122.0978	4.599	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:O-1:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	119.9980	0.699	2	119.9980	0.488	2	119.5333	0.545	4	122.0978	4.599	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:O-1:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O){1|C<3>,1|I<1>,1|N<2>,2|N<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	119.0685	0.531	2	119.0685	0.282	2	119.5333	0.545	4	122.0978	4.599	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:O[6a]-2:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]O[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]O[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>}	124.3930	0.000	1	124.3930	0.000	1	124.3930	0.000	1	121.1226	1.994	9	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>,3|H<1>}	122.0480	0.000	1	122.0480	0.000	1	122.0480	0.000	1	121.1226	1.994	9	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|Br<1>,1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){5|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.8980	0.000	1	119.8980	0.000	1	120.5231	0.314	7	121.1226	1.994	9	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){5|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	120.6525	0.097	2	120.6525	0.009	2	120.5231	0.314	7	121.1226	1.994	9	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H){1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|Cl<1>,1|S<4>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|S<4>,2|H<1>}	121.4430	0.000	1	121.4430	0.000	1	120.5231	0.314	7	121.1226	1.994	9	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|Cl<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	120.9090	0.000	1	120.9090	0.000	1	120.5231	0.314	7	121.1226	1.994	9	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]N[6a]H){1|C<3>,1|I<1>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|I<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|N<2>,2|H<1>}	119.9720	0.000	1	119.9720	0.000	1	120.5231	0.314	7	121.1226	1.994	9	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]H){1|C<3>,1|I<1>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.1350	0.000	1	120.1350	0.000	1	120.5231	0.314	7	121.1226	1.994	9	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:O-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,2|O<2>}	120.2860	0.000	1	120.2860	0.000	1	120.2860	0.000	1	120.2860	0.000	1	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	119.9330	0.590	3	119.9345	0.232	4	119.9345	0.232	4	119.9345	0.232	4	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.9390	0.000	1	119.9345	0.232	4	119.9345	0.232	4	119.9345	0.232	4	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<2>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|N<2>,3|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	122.4900	0.000	1	122.4900	0.000	1	122.4900	0.000	1	122.4900	0.000	1	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){5|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3){1|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	120.5195	0.620	2	120.5195	0.385	2	120.5195	0.385	2	120.4000	0.235	3	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:C-4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]N[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CH3){2|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|N<2>,2|C<3>}	120.1610	0.000	1	120.1610	0.000	1	120.1610	0.000	1	120.4000	0.235	3	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:2:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(CF3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(CF3){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	118.5620	0.000	1	118.5620	0.000	1	118.5620	0.000	1	118.5620	0.000	1	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[5a,6a]C[5a,6a]2)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[5a,6a]C[5a,6a]2)(H){2|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6,6a]){1|C<4>,1|H<1>,3|C<3>}	121.5210	0.000	1	121.5210	0.000	1	121.5210	0.000	1	121.5232	5.725	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a]){1|O<1>,4|C<3>}	127.9670	0.000	1	127.9670	0.000	1	127.9670	0.000	1	121.5232	5.725	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:N[6a]-2:S[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a])(S[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|Br<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a])(S[5a]C[5a,6a]){1|O<1>,4|C<3>}	121.2480	0.000	1	121.2480	0.000	1	121.2480	0.000	1	121.5232	5.725	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a]){1|C<4>,1|O<1>,3|C<3>}	127.4730	0.000	1	127.4730	0.000	1	127.4730	0.000	1	121.5232	5.725	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:S[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(N[6a]C[6a]){1|C<4>,1|O<1>,3|C<3>}	120.7300	0.000	1	120.7300	0.000	1	120.7300	0.000	1	121.5232	5.725	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	119.9710	0.000	1	119.9710	0.000	1	120.3263	0.223	11	121.5232	5.725	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,3|H<1>}	119.9440	0.000	1	120.4173	0.190	3	120.3263	0.223	11	121.5232	5.725	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	120.6540	0.208	2	120.4173	0.190	3	120.3263	0.223	11	121.5232	5.725	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	119.6430	0.000	1	119.8940	0.126	2	120.3263	0.223	11	121.5232	5.725	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,3|H<1>}	120.1450	0.000	1	119.8940	0.126	2	120.3263	0.223	11	121.5232	5.725	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	120.3357	0.618	3	120.3357	0.382	3	120.3263	0.223	11	121.5232	5.725	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	120.8680	0.000	1	120.7855	0.014	2	120.3263	0.223	11	121.5232	5.725	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	120.7030	0.000	1	120.7855	0.014	2	120.3263	0.223	11	121.5232	5.725	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[6a]-2:S[5a]-2:	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.4830	0.000	1	122.4450	0.003	2	122.4450	0.003	2	121.5232	5.725	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[6a]-2:S[5a]-2:	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a])	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	122.4070	0.000	1	122.4450	0.003	2	122.4450	0.003	2	121.5232	5.725	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.3590	0.000	1	121.6270	0.144	2	121.6270	0.144	2	121.8794	1.022	26	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	121.8950	0.000	1	121.6270	0.144	2	121.6270	0.144	2	121.8794	1.022	26	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.2195	0.391	2	121.2195	0.153	2	121.5367	0.378	3	121.8794	1.022	26	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.1710	0.000	1	122.1710	0.000	1	121.5367	0.378	3	121.8794	1.022	26	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.3430	0.000	1	120.3430	0.000	1	121.6968	0.595	19	121.8794	1.022	26	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1467	0.314	3	121.1467	0.099	3	121.6968	0.595	19	121.8794	1.022	26	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	122.6580	0.000	1	122.6580	0.000	1	121.6968	0.595	19	121.8794	1.022	26	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|O<2>,2|C<3>,2|H<1>}	123.0500	0.000	1	121.8080	0.523	6	121.6968	0.595	19	121.8794	1.022	26	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.5596	0.437	5	121.8080	0.523	6	121.6968	0.595	19	121.8794	1.022	26	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.9090	0.000	1	121.8867	0.562	6	121.6968	0.595	19	121.8794	1.022	26	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.5438	0.416	4	121.8867	0.562	6	121.6968	0.595	19	121.8794	1.022	26	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	123.2360	0.000	1	121.8867	0.562	6	121.6968	0.595	19	121.8794	1.022	26	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.0750	0.000	1	121.8150	1.095	2	121.6968	0.595	19	121.8794	1.022	26	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.5550	0.000	1	121.8150	1.095	2	121.6968	0.595	19	121.8794	1.022	26	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:O[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	123.9790	0.000	1	123.9790	0.000	1	123.9790	0.000	1	121.8794	1.022	26	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:N[6a]-2:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])(C[5a]C[5a]H){1|O<1>,4|C<3>}	124.7820	0.000	1	124.7820	0.000	1	124.7820	0.000	1	121.8794	1.022	26	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.6110	0.000	1	122.6110	0.000	1	122.6110	0.000	1	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O){1|F<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|O<1>,5|C<3>}	125.1720	0.000	1	126.1540	0.520	4	126.1540	0.520	4	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|O<1>,5|C<3>}	126.4813	0.370	3	126.1540	0.520	4	126.1540	0.520	4	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){1|O<1>,4|C<3>}	123.3580	0.441	2	123.3580	0.195	2	123.3580	0.195	2	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){2|H<1>,5|C<3>}	121.2160	0.334	2	122.4718	1.170	6	122.4718	1.170	6	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|O<2>,5|C<3>}	122.3170	0.000	1	122.4718	1.170	6	122.4718	1.170	6	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){2|H<1>,5|C<3>}	123.3607	0.307	3	122.4718	1.170	6	122.4718	1.170	6	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,3|C<3>}	121.3770	0.000	1	121.3770	0.000	1	121.3770	0.000	1	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	122.6370	0.000	1	122.6370	0.000	1	122.2617	0.127	3	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	121.9290	0.000	1	121.9290	0.000	1	122.2617	0.127	3	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	122.2190	0.000	1	122.2190	0.000	1	122.2617	0.127	3	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	121.8670	0.000	1	121.8670	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	121.5440	0.000	1	121.5440	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	122.2880	0.000	1	121.8513	0.268	3	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	121.6330	0.499	2	121.8513	0.268	3	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	121.5760	0.000	1	121.8300	0.387	20	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	121.4057	0.349	3	121.8300	0.387	20	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	122.5350	0.000	1	121.8300	0.387	20	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	121.5440	0.000	1	121.8300	0.387	20	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Se<2>,2|C<3>,2|H<1>}	121.8080	0.000	1	121.8300	0.387	20	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	122.2520	1.010	4	121.8300	0.387	20	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.3220	0.000	1	121.8300	0.387	20	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	121.7007	0.543	7	121.8300	0.387	20	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	121.6850	0.000	1	121.8300	0.387	20	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]){2|C<3>,3|H<1>}	123.4220	0.000	1	123.4220	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	122.0780	0.000	1	122.0930	0.000	2	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	122.1080	0.000	1	122.0930	0.000	2	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	122.0935	1.128	2	122.0935	1.272	2	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	122.6610	0.320	2	122.6610	0.102	2	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	121.7440	0.571	2	121.7440	0.326	2	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	122.2350	0.528	2	121.5250	0.262	13	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	121.2929	0.225	8	121.5250	0.262	13	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	121.6707	0.709	3	121.5250	0.262	13	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.6550	0.000	1	122.6550	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|N<2>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,2|H<1>}	120.8760	0.000	1	120.8760	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	123.3670	0.000	1	123.3670	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	122.3498	0.338	4	122.3498	0.114	4	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	122.8620	0.000	1	122.2813	0.286	3	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	121.9910	0.257	2	122.2813	0.286	3	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,4|H<1>}	123.1247	0.093	3	123.2388	0.056	5	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){2|C<3>,3|H<1>}	123.4100	0.330	2	123.2388	0.056	5	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	123.3300	0.000	1	123.3300	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	122.4063	0.148	3	122.2450	0.119	4	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	121.7610	0.000	1	122.2450	0.119	4	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	121.8520	0.000	1	122.0675	0.093	2	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	122.2830	0.000	1	122.0675	0.093	2	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	123.0880	0.000	1	123.0880	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	122.1530	0.000	1	121.7009	2.214	12	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,4|H<1>}	119.1510	2.679	2	121.7009	2.214	12	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	121.4860	0.000	1	121.7009	2.214	12	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	122.3088	0.371	8	121.7009	2.214	12	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	123.0830	0.000	1	123.0830	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[5a])(H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	122.9640	0.267	2	122.9640	0.071	2	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|C<3>,3|H<1>}	121.8795	0.069	2	121.8795	0.005	2	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	120.1360	0.000	1	120.1360	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	122.9810	0.399	2	122.9810	0.159	2	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	121.7610	0.000	1	121.7610	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	122.2270	0.000	1	122.3833	0.229	16	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.2830	0.000	1	122.3833	0.229	16	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	122.5570	0.404	10	122.3833	0.229	16	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	122.2632	0.354	4	122.3833	0.229	16	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	120.4480	0.505	2	120.4480	0.255	2	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	122.9760	0.000	1	122.9760	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	123.2175	0.261	2	123.2175	0.068	2	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	120.6115	1.231	2	120.5727	0.762	3	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.4950	0.000	1	120.5727	0.762	3	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	122.0730	0.000	1	122.0730	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	122.6733	0.346	3	122.6733	0.119	3	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<3>,1|S<4>,2|H<1>}	122.2770	0.000	1	122.0243	0.145	10	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	121.4490	0.000	1	122.0243	0.145	10	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	122.1237	0.386	6	122.0243	0.145	10	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	121.8875	0.268	2	122.0243	0.145	10	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	122.4960	0.000	1	122.4960	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Se<2>,2|C<3>,2|H<1>}	122.2738	0.472	6	122.2738	0.223	6	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	121.8570	0.000	1	121.8570	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	123.1130	0.000	1	123.1130	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	122.1650	0.000	1	122.1205	0.004	2	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	122.0760	0.000	1	122.1205	0.004	2	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	122.1130	0.201	2	122.1130	0.040	2	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]N[6])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]N[6])(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	123.0510	0.000	1	123.0510	0.000	1	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	123.5360	0.266	3	123.5360	0.071	3	122.1208	0.726	146	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,1|S<2>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	121.6830	0.000	1	121.6830	0.000	1	121.7797	0.290	3	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	121.2960	0.000	1	121.2960	0.000	1	121.7797	0.290	3	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	122.3600	0.000	1	122.3600	0.000	1	121.7797	0.290	3	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]N[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>}	122.3515	0.342	12	122.3515	0.117	12	122.3515	0.117	12	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	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>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,1|O<1>,3|H<1>}	126.3640	0.000	1	126.3640	0.000	1	126.3640	0.000	1	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:Br-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]N)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	120.0080	0.000	1	120.0080	0.000	1	120.0080	0.000	1	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:Cl-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(Cl)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H){1|N<2>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|H<1>}	120.5380	0.000	1	120.5380	0.000	1	120.5380	0.000	1	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	124.1150	0.000	1	124.1150	0.000	1	124.1150	0.000	1	122.2591	1.167	182	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](B[5a]B[5x3,5x5,20x6]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](B[5a]B[5x3,5x5,20x6]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|B<6>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|B<6>,3|C<3>,3|H<1>}	117.7075	0.762	2	117.7075	0.580	2	117.7075	0.580	2	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.8540	0.000	1	120.8540	0.000	1	121.1610	0.188	2	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	121.4680	0.000	1	121.4680	0.000	1	121.1610	0.188	2	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.4620	0.145	4	118.4620	0.021	4	118.8613	0.401	6	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	119.6600	0.170	2	119.6600	0.029	2	118.8613	0.401	6	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	119.3650	0.000	1	119.3650	0.000	1	119.3650	0.000	1	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a]){1|C<4>,2|H<1>,6|C<3>}	121.9910	0.000	1	121.9910	0.000	1	121.9910	0.000	1	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,1|O<1>,7|C<3>}	124.4610	0.000	1	124.4610	0.000	1	124.4610	0.000	1	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a,6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a,6a]O){1|H<1>,1|O<1>,5|C<3>}	124.7540	0.000	1	124.7540	0.000	1	124.7540	0.000	1	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N)(N[5a]C[5a,6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N)(N[5a]C[5a,6a]H){1|O<1>,4|C<3>}	123.4350	0.000	1	123.4350	0.000	1	123.4350	0.000	1	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H){5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	122.8190	0.059	2	122.8190	0.004	2	122.8190	0.004	2	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O){1|C<4>,1|H<1>,5|C<3>}	122.7320	0.000	1	122.7320	0.000	1	123.4570	0.375	5	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){2|H<1>,7|C<3>}	123.7840	0.154	2	123.7840	0.024	2	123.4570	0.375	5	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O){1|C<4>,1|H<1>,5|C<3>}	122.8870	0.000	1	122.8870	0.000	1	123.4570	0.375	5	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	124.0980	0.000	1	124.0980	0.000	1	123.4570	0.375	5	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	121.0925	0.527	2	121.0925	0.278	2	122.0540	0.959	13	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.7370	0.000	1	122.7370	0.000	1	122.0540	0.959	13	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.6940	0.000	1	122.6940	0.000	1	122.0540	0.959	13	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]C){2|H<1>,3|C<3>}	123.8100	0.000	1	123.8100	0.000	1	122.0540	0.959	13	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	123.2230	0.000	1	123.2230	0.000	1	122.0540	0.959	13	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.6513	0.250	3	121.4225	0.251	4	122.0540	0.959	13	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.7360	0.000	1	121.4225	0.251	4	122.0540	0.959	13	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	122.2650	0.000	1	122.2650	0.000	1	122.0540	0.959	13	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O){1|H<1>,3|C<3>}	121.1390	0.000	1	121.1390	0.000	1	122.0540	0.959	13	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	122.9590	0.000	1	122.9590	0.000	1	122.0540	0.959	13	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	125.0757	0.358	3	125.0757	0.128	3	125.0757	0.128	3	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	125.5780	0.000	1	125.5780	0.000	1	125.5780	0.000	1	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O){7|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	124.6940	0.000	1	124.6940	0.000	1	124.2926	0.360	5	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(O){1|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	125.1260	0.000	1	125.1260	0.000	1	124.2926	0.360	5	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|C<3>,4|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O){1|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	123.7020	0.000	1	123.8810	0.038	3	124.2926	0.360	5	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|C<3>,4|H<1>}	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.9705	0.165	2	123.8810	0.038	3	124.2926	0.360	5	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.0480	0.000	1	122.0480	0.000	1	121.7445	0.184	2	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	121.4410	0.000	1	121.4410	0.000	1	121.7445	0.184	2	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.7050	0.000	1	120.7050	0.000	1	120.6015	0.021	2	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	120.4980	0.000	1	120.4980	0.000	1	120.6015	0.021	2	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	121.5700	0.000	1	122.6063	0.862	3	122.4557	0.935	8	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	122.8860	0.000	1	122.6063	0.862	3	122.4557	0.935	8	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	123.3630	0.000	1	122.6063	0.862	3	122.4557	0.935	8	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){3|H<1>,6|C<3>}	121.9120	0.000	1	121.9120	0.000	1	122.4557	0.935	8	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	121.6790	0.000	1	121.6320	0.004	2	122.4557	0.935	8	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	121.5850	0.000	1	121.6320	0.004	2	122.4557	0.935	8	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	122.4370	0.000	1	123.3255	1.579	2	122.4557	0.935	8	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|C<3>,4|H<1>}	124.2140	0.000	1	123.3255	1.579	2	122.4557	0.935	8	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.1290	0.410	2	121.7913	0.426	3	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.1160	0.000	1	121.7913	0.426	3	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.6130	0.000	1	120.9499	0.338	22	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.2100	0.000	1	120.9499	0.338	22	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1616	0.625	5	120.9499	0.338	22	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	121.2668	0.501	5	120.9499	0.338	22	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.1540	0.000	1	120.9499	0.338	22	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.2490	0.451	2	120.9499	0.338	22	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.5280	0.000	1	120.9499	0.338	22	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	120.3066	0.249	5	120.9499	0.338	22	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.2200	0.000	1	120.9499	0.338	22	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	120.9955	0.035	2	120.3420	1.065	5	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	119.3250	0.898	2	120.3420	1.065	5	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.0690	0.000	1	120.3420	1.065	5	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]F)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]F)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	121.6625	0.272	2	121.6625	0.074	2	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	121.5000	0.000	1	121.5000	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	121.0975	0.223	2	121.0955	0.039	6	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.0945	0.219	4	121.0955	0.039	6	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.1480	0.000	1	120.1480	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	122.4840	0.000	1	122.4165	0.009	2	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){7|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	122.3490	0.000	1	122.4165	0.009	2	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|I<1>,2|C<3>,2|H<1>}	122.2630	0.000	1	122.2630	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.6310	0.373	3	120.6056	0.489	9	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.2290	0.000	1	120.6056	0.489	9	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	119.6080	0.000	1	120.6056	0.489	9	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.9470	0.000	1	120.6056	0.489	9	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	120.2485	0.293	2	120.6056	0.489	9	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.2760	0.000	1	120.6056	0.489	9	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.8480	0.000	1	120.8480	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	120.2370	0.308	2	120.8938	0.614	5	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	120.5650	0.000	1	120.8938	0.614	5	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,3|H<1>}	121.7150	0.205	2	120.8938	0.614	5	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.5680	0.000	1	120.5680	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	120.3545	0.424	4	120.3545	0.180	4	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7530	0.000	1	119.7530	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	121.9950	0.000	1	121.9950	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	122.5600	0.000	1	122.5600	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.5860	0.000	1	121.6730	0.015	2	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	121.7600	0.000	1	121.6730	0.015	2	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	122.9515	0.069	2	122.9515	0.005	2	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.8850	0.000	1	121.8850	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	121.3745	0.893	2	121.3745	0.798	2	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O){1|C<3>,3|H<1>}	121.4660	0.000	1	121.4660	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,3|H<1>}	120.8150	0.000	1	120.8150	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]O[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]O[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O){1|C<3>,3|H<1>}	121.0240	0.000	1	121.0240	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	121.8940	0.000	1	121.8940	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.6640	0.000	1	121.6640	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|H<1>}	122.1160	0.000	1	122.1160	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.5510	0.000	1	121.5510	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.1680	0.000	1	121.1967	0.288	8	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.1185	0.311	4	121.1967	0.288	8	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.4090	0.000	1	121.1967	0.288	8	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	121.2615	1.283	2	121.1967	0.288	8	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	120.7900	0.000	1	120.7900	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.5460	0.000	1	120.5460	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	120.7745	0.141	2	120.7745	0.020	2	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	121.0530	0.421	2	121.0530	0.178	2	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]H){2|C<3>,2|H<1>}	119.9770	0.000	1	119.9770	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	122.0390	0.000	1	122.0390	0.000	1	121.0904	0.600	96	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	120.9960	0.000	2	120.9960	0.000	2	120.7592	0.129	12	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	120.6120	0.000	1	120.6120	0.000	1	120.7592	0.129	12	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	120.7999	0.278	7	120.7999	0.077	7	120.7592	0.129	12	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	120.4535	0.791	2	120.4535	0.626	2	120.7592	0.129	12	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	119.9310	0.000	1	120.0650	0.142	3	120.0650	0.142	3	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	120.1320	0.508	2	120.0650	0.142	3	120.0650	0.142	3	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:N[5a,6a]-3:O-1:	C[6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]N[5a,6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])2(O)	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]N[5a,6a]O){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])2(O){7|C<3>}	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	121.3670	0.000	1	121.3670	0.000	1	121.3670	0.000	1	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5a,6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]C[5a]C){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O){7|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5a,6a]O){1|O<1>,6|C<3>}	125.8230	0.000	1	125.8230	0.000	1	125.8230	0.000	1	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]N[5a]H){1|H<1>,1|O<1>,2|C<3>}	124.3620	0.000	1	124.3620	0.000	1	124.3620	0.000	1	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(O){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	125.2120	0.000	1	125.2120	0.000	1	125.2120	0.000	1	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a,6a]-3:O-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(O)	C[5a,6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]H){4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C){1|O<1>,2|H<1>,3|C<3>}	127.1210	0.000	1	127.1210	0.000	1	127.1210	0.000	1	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a,6a]-3:O-1:	C[6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])2(O)	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])2(O){7|C<3>}	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	118.3510	0.000	1	118.3510	0.000	1	118.3510	0.000	1	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Br)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	119.7755	0.101	2	119.7755	0.010	2	119.9790	0.084	4	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Cl)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	120.1825	0.274	2	120.1825	0.075	2	119.9790	0.084	4	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	120.0225	0.624	2	120.0225	0.390	2	120.0225	0.390	2	121.4376	2.449	179	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]FF)(C[6a]C[6a]H)	N[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]O){2|F<1>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(O){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]FF)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	124.3910	0.448	2	124.3910	0.201	2	124.3910	0.201	2	124.4860	0.197	4	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:B[5,5a]-4:C[6a]-3:	N[5a,6a](C[5a,6a]B[5,5a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(O)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5,5a]N[5a,6]O[5]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]B[5,5a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]O){2|O<2>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(O){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5,5a]N[5a,6]O[5]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	124.5810	0.595	2	124.5810	0.354	2	124.5810	0.354	2	124.4860	0.197	4	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[6a]-2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,4|C<3>}	120.8127	0.300	4	120.8127	0.090	4	120.8127	0.090	4	120.8127	0.090	4	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	122.1900	0.000	1	122.1900	0.000	1	121.9240	0.142	2	121.9240	0.142	2	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a])	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.6580	0.000	1	121.6580	0.000	1	121.9240	0.142	2	121.9240	0.142	2	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	120.6890	0.000	1	120.6890	0.000	1	120.6890	0.000	1	121.0668	0.841	6	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.7960	0.000	1	119.7960	0.000	1	121.3432	1.075	4	121.0668	0.841	6	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	121.8050	0.123	2	121.8050	0.015	2	121.3432	1.075	4	121.0668	0.841	6	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	121.9670	0.000	1	121.9670	0.000	1	121.3432	1.075	4	121.0668	0.841	6	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(OC)	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(OC){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	120.3390	0.000	1	120.3390	0.000	1	120.3390	0.000	1	121.0668	0.841	6	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6a]){1|C<4>,4|C<3>}	120.7200	0.000	1	120.7200	0.000	1	120.5770	0.041	2	120.5770	0.041	2	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(N[6a]C[6a]){5|C<3>}	120.4340	0.000	1	120.4340	0.000	1	120.5770	0.041	2	120.5770	0.041	2	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){7|C<3>}	122.2460	0.000	1	122.2460	0.000	1	121.4163	0.684	3	121.4163	0.684	3	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){5|C<3>}	121.0015	0.579	2	121.0015	0.335	2	121.4163	0.684	3	121.4163	0.684	3	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){8|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	120.2220	0.146	2	120.2220	0.021	2	121.0712	0.969	4	121.5049	1.859	16	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	121.9205	0.030	2	121.9205	0.001	2	121.0712	0.969	4	121.5049	1.859	16	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	122.8950	0.000	1	122.8950	0.000	1	122.9985	0.021	2	121.5049	1.859	16	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|I<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	123.1020	0.000	1	123.1020	0.000	1	122.9985	0.021	2	121.5049	1.859	16	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]){1|O<2>,6|C<3>}	123.2990	0.000	1	123.2990	0.000	1	123.2990	0.000	1	121.5049	1.859	16	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]){5|C<3>}	119.5910	0.000	1	119.5910	0.000	1	119.5910	0.000	1	121.5049	1.859	16	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:S[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[3])(S[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH){1|O<1>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[3])(S[5a]C[5a,6a]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	118.8090	0.000	1	118.8090	0.000	1	118.8090	0.000	1	121.5049	1.859	16	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CC[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	123.4760	0.000	1	123.4760	0.000	1	123.4760	0.000	1	121.5049	1.859	16	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	121.5520	0.000	1	121.5520	0.000	1	121.5520	0.000	1	121.5049	1.859	16	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	121.4630	0.000	1	121.7505	0.165	2	121.6860	0.062	4	121.5049	1.859	16	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	122.0380	0.000	1	121.7505	0.165	2	121.6860	0.062	4	121.5049	1.859	16	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	121.6215	0.067	2	121.6215	0.005	2	121.6860	0.062	4	121.5049	1.859	16	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<2>,1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	120.3260	0.000	1	120.3260	0.000	1	120.3260	0.000	1	121.5049	1.859	16	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){5|C<3>}	119.1690	0.281	3	119.1690	0.079	3	119.2235	0.065	4	120.2332	1.645	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){4|H<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){5|C<3>}	119.3870	0.000	1	119.3870	0.000	1	119.2235	0.065	4	120.2332	1.645	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[5a])	C[6a](N[5a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[5a]){3|H<1>,6|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H){1|H<1>,8|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|H<1>,1|N<3>,5|C<3>}	120.2170	0.000	1	120.2170	0.000	1	120.2170	0.000	1	120.2332	1.645	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(COO){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	120.6970	0.000	1	120.6970	0.000	1	120.6970	0.000	1	120.2332	1.645	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]F)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|F<1>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]F)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	122.4380	0.000	1	122.4380	0.000	1	122.8480	0.336	2	120.2332	1.645	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	123.2580	0.000	1	123.2580	0.000	1	122.8480	0.336	2	120.2332	1.645	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	120.3630	0.000	1	120.3630	0.000	1	120.3630	0.000	1	120.2332	1.645	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:C[5,6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5,6a]O)(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCH){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5,6a]O)(C[5a]C[5a]H){2|Br<1>,1|C<3>,1|C<4>,1|N<3>}	120.0020	0.000	1	120.0020	0.000	1	119.7912	0.149	4	120.2332	1.645	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:C[5,6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCN)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5,6a]O)(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCN){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5,6a]O)(C[5a]C[5a]H){2|Br<1>,1|C<3>,1|C<4>,1|N<3>}	119.6895	0.619	2	119.6895	0.383	2	119.7912	0.149	4	120.2332	1.645	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a]-3:C[5,6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NHS)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5,6a]O)(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NHS){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5,6a]O)(C[5a]C[5a]H){2|Br<1>,1|C<3>,1|C<4>,1|N<3>}	119.7840	0.000	1	119.7840	0.000	1	119.7912	0.149	4	120.2332	1.645	13	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:2:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCCH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	121.2480	0.069	2	121.2480	0.005	2	121.2480	0.005	2	121.2480	0.005	2	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	122.4880	0.000	1	122.4880	0.000	1	122.4880	0.000	1	122.4880	0.000	1	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C-4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[5a,6a]C[5a,6a]2)(CF3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(N[5a,6a]C[5a,6a]2)(CF3){1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|N<3>,5|C<3>}	121.8550	0.000	1	121.8550	0.000	1	121.8575	0.000	2	121.9684	1.023	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C-4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(CF3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(CF3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|N<3>,5|C<3>}	121.8600	0.000	1	121.8600	0.000	1	121.8575	0.000	2	121.9684	1.023	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N[5a,6a]-3:C-4:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(CH3){1|N<2>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	120.8130	0.000	1	120.8130	0.000	1	120.8130	0.000	1	121.9684	1.023	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]H)(CH3){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){2|C<4>,5|C<3>}	122.7200	0.426	2	122.7200	0.181	2	122.7200	0.181	2	121.9684	1.023	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CH3){1|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	122.8320	0.542	2	122.8320	0.293	2	122.8320	0.293	2	121.9684	1.023	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	123.7370	0.000	1	123.7370	0.000	1	123.7370	0.000	1	121.9684	1.023	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|I<1>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	120.9288	0.940	4	120.9288	0.884	4	121.6233	1.059	9	121.9684	1.023	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	122.7920	0.000	1	122.9450	0.047	2	121.6233	1.059	9	121.9684	1.023	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	123.0980	0.000	1	122.9450	0.047	2	121.6233	1.059	9	121.9684	1.023	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(CCCH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(CCCH){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	121.8175	0.456	2	121.8175	0.208	2	121.6233	1.059	9	121.9684	1.023	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.3700	0.000	1	121.3700	0.000	1	121.6233	1.059	9	121.9684	1.023	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,1|O<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(N[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|O<1>,2|C<4>}	121.4530	0.000	1	121.4530	0.000	1	121.4530	0.000	1	121.9684	1.023	18	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	N[5a,6a]-3:C[5,6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[5a]C[6a])(C[6a]C[5,6a]C)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[5,6a]N[5,6a]C[5])(CH3)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5,6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[5a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|N<3>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[5,6a]N[5,6a]C[5])(CH3){1|B<3>,6|C<3>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5,6a]C){1|B<3>,1|C<4>,5|C<3>}	118.5260	0.000	1	118.5260	0.000	1	118.5260	0.000	1	121.0873	1.407	12	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CF3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CF3){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	121.0873	1.407	12	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH){1|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	121.6010	0.000	1	121.6010	0.000	1	121.6010	0.000	1	121.0873	1.407	12	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	121.2230	0.000	1	121.3295	0.023	2	121.3295	0.023	2	121.0873	1.407	12	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	121.4360	0.000	1	121.3295	0.023	2	121.3295	0.023	2	121.0873	1.407	12	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	122.6200	0.000	1	122.6200	0.000	1	122.0590	0.165	4	121.0873	1.407	12	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	122.0810	0.000	1	121.8720	0.038	3	122.0590	0.165	4	121.0873	1.407	12	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.7675	0.104	2	121.8720	0.038	3	122.0590	0.165	4	121.0873	1.407	12	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|Br<1>,1|C<2>,1|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	120.9973	0.038	3	120.9973	0.001	3	120.9973	0.001	3	121.0873	1.407	12	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:2:1:	3:3:3:	C[5a,6a]-3:B[5,5a]-4:C[6a]-3:	N[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]N[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]N[6a]H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(N[6a]C[6a])(H){1|H<1>,1|N<4>,2|C<3>,2|O<2>}	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|O<2>,3|H<1>}	120.4480	0.000	1	120.4480	0.000	1	120.4480	0.000	1	120.4480	0.000	1	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5,5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|O<2>}	120.8210	0.000	1	120.8210	0.000	1	120.8210	0.000	1	120.4233	0.321	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[5]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	120.4233	0.321	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.4185	0.050	2	120.4625	0.026	4	120.4784	0.123	21	120.4233	0.321	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	120.5065	0.260	2	120.4625	0.026	4	120.4784	0.123	21	120.4233	0.321	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.3823	0.330	10	120.3823	0.109	10	120.4784	0.123	21	120.4233	0.321	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.3443	0.287	3	120.3443	0.082	3	120.4784	0.123	21	120.4233	0.321	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|Cl<1>,3|C<3>,3|H<1>}	120.8350	0.440	4	120.8350	0.193	4	120.4784	0.123	21	120.4233	0.321	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[6a]2N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[6a]2N[5a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.5663	0.299	3	120.5663	0.089	3	120.7463	0.177	6	120.4233	0.321	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]CC)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	120.7440	0.559	2	120.7440	0.312	2	120.7463	0.177	6	120.4233	0.321	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,2|F<1>,2|H<1>,3|C<3>}	121.2910	0.000	1	121.2910	0.000	1	120.7463	0.177	6	120.4233	0.321	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:4:3:	3:3:1:	3:3:3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[5,5a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]C[5,5a]CC)(C[6a]N[6a]O)	C[6a](N[5a,6a]C[5a,6a]B[5a])(N[6a]C[6a]H)(O)	C[5a,6a](N[5,5a]C[5,5a]C[5])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]C[5,5a]CC)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|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[5a,6a](N[5,5a]C[5,5a]C[5])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>,2|N<3>,2|O<1>}	118.8330	0.526	2	118.8330	0.277	2	118.8330	0.277	2	120.4233	0.321	31	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	4:3:3:	3:3:1:	3:3:3:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>,4|C<4>}	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	118.9165	0.125	2	118.9165	0.016	2	117.9121	0.594	14	117.9121	0.594	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	4:3:3:	3:3:1:	3:3:3:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>,4|C<4>}	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	118.6445	0.494	2	118.6445	0.244	2	117.9121	0.594	14	117.9121	0.594	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	4:3:3:	3:3:1:	3:3:3:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	118.6165	0.175	2	117.5648	0.352	10	117.9121	0.594	14	117.9121	0.594	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP2_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	4:3:3:	3:3:1:	3:3:3:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<4>,3|C<3>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	117.3019	0.232	8	117.5648	0.352	10	117.9121	0.594	14	117.9121	0.594	14	122.1058	3.126	834	122.1515	3.334	1348
813	643	727	6:SP3_SP2_SP2	N[5a,6]	C[6,6a]	C[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a])	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	116.9530	0.000	1	116.9530	0.000	1	116.9530	0.000	1	116.9530	0.000	1	116.9530	0.000	1	119.8870	6.801	3
813	643	727	6:SP3_SP2_SP2	N[5a,6a]	C[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.7670	0.000	1	120.7670	0.000	1	120.7670	0.000	1	120.7670	0.000	1	120.7670	0.000	1	119.8870	6.801	3
813	643	727	6:SP3_SP2_SP2	N[5a,6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:N-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(NC[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]N[5a,6a]N)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(NC[6a]){1|N<3>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]N[5a,6a]N){1|N<2>,4|C<3>}	121.9410	0.000	1	121.9410	0.000	1	121.9410	0.000	1	121.9410	0.000	1	121.9410	0.000	1	119.8870	6.801	3